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返回ChemicalBook首頁>CAS數(shù)據(jù)庫列表>1820-99-1更多圖譜> 5,5'-硫代雙水楊酸(1820-99-1)核磁圖(13CNMR)

1820-99-1

5,5'-硫代雙水楊酸(1820-99-1)核磁圖(13CNMR)

產(chǎn)品名稱:5,5'-硫代雙水楊酸

CAS:1820-99-1

分子式:C14H10O6S

分子量: 306.29

InChI:InChI=1S/C14H10O6S/c15-11-3-1-7(5-9(11)13(17)18)21-8-2-4-12(16)10(6-8)14(19)20/h1-6,15-16H,(H,17,18)(H,19,20)

InChIKey: DWMJRSPNFCPIQN-UHFFFAOYSA-N

Smiles:S(C1C=CC(O)=C(C=1)C(O)=O)C1C=CC(O)=C(C=1)C(O)=O

  • 圖譜
    Mass

    MS-NW-2164          
    5,5'-thiodisalicylic acid
    C14H10O6S           (Mass of molecular ion:    306)
    

       Source Temperature: 230 °C
       Sample Temperature: 250 °C
       Direct, 75 eV
    

          12.0       2.3
          16.0       4.3
          17.0       3.8
          18.0      13.8
          26.0       1.4
          27.0       4.6
          28.0      11.5
          29.0       2.4
          37.0       2.3
          38.0       6.7
          39.0      24.4
          40.0       1.9
          43.0       1.5
          44.0      71.0
          45.0      17.7
          47.0       1.1
          50.0       4.6
          51.0       7.0
          52.0       2.1
          53.0      15.1
          54.0       1.1
          55.0       4.2
          58.0       1.0
          61.0       2.7
          62.0       8.7
          63.0      26.8
          64.0       7.3
          65.0      11.1
          66.0       3.9
          67.0       1.9
          69.0      15.2
          70.0       9.6
          71.0       4.6
          72.0       1.4
          74.0       2.1
          75.0       2.2
          76.0       1.1
          77.0       3.0
          78.0       1.3
          79.0       8.4
          79.5       1.4
          80.0       1.6
          81.0       8.2
          82.0       1.8
          85.0       4.7
          85.5       1.2
          86.0       1.6
          87.0       1.0
          89.0       3.4
          90.0       1.3
          91.0       3.5
          92.0       5.6
          93.0       3.4
          93.5       2.1
          94.0      12.5
          94.5       1.0
          95.0      23.5
          96.0       5.3
          97.0       9.3
          98.0       4.6
          99.0       1.0
         100.0       1.5
         101.0       1.0
         102.0       1.9
         107.0       2.4
         108.0       2.8
         109.0       1.5
         114.0       2.9
         115.0      14.5
         116.0       3.1
         117.0       1.0
         118.0       3.4
         119.0       1.3
         120.0       2.9
         121.0       1.9
         122.0       6.8
         123.0       2.6
         124.0       2.8
         125.0       8.8
         126.0       5.5
         127.0       4.3
         128.0       4.0
         129.0       1.3
         131.0       6.3
         132.0       1.3
         133.0       1.2
         134.0       1.7
         135.0       2.8
         137.0       4.5
         138.0       1.3
         139.0       1.0
         143.0       1.4
         144.0       6.8
         145.0       2.2
         147.0       1.1
         150.0       1.1
         151.0       4.1
         152.0       1.8
         155.0      11.4
         156.0       2.6
         157.0       6.6
         158.0      11.3
         159.0       5.6
         160.0       3.0
         161.0       1.9
         162.0       1.7
         163.0       2.8
         169.0       1.2
         170.0       1.5
         171.0      13.2
         172.0       2.1
         173.0       1.6
         176.0       4.5
         183.0       2.6
         184.0       2.8
         185.0       5.1
         186.0      10.0
         187.0      37.4
         188.0      57.3
         189.0      11.8
         190.0       3.7
         191.0       2.3
         199.0       3.7
         200.0       2.6
         201.0       2.6
         202.0       1.2
         203.0       1.2
         214.0       9.5
         215.0       5.0
         216.0       5.9
         217.0       7.9
         218.0      35.7
         219.0       5.6
         220.0       2.4
         243.0       5.0
         244.0     100.0
         245.0      15.5
         246.0       6.8
         261.0       1.8
         262.0      75.1
         263.0      11.2
         264.0       5.2
         270.0      14.1
         271.0       3.0
         272.0       1.1
         288.0      12.4
         289.0       2.4
         290.0       1.0
         306.0      10.6
         307.0       1.7
         308.0       1.0
    

400 MHz in DMSO-d6

  • 圖譜

    1H NMR 399.65 MHz
    C14 H10 O6 S 0.040 g : 0.5 ml DMSO-d6
    5,5'-thiodisalicylic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 11. B 7.779 C 7.513 D 7.005

         Hz     ppm     Int.
    

       3110.35   7.783    975
       3107.97   7.777   1000
       3104.31   7.768     27
       3008.51   7.528    651
       3005.95   7.522    643
       2999.72   7.506    714
       2997.34   7.500    729
       2803.73   7.016    990
       2799.70   7.006     31
       2798.78   7.004     33
       2795.12   6.994    935
    

in DMSO-d6

  • 圖譜

KBr disc

  • 圖譜

nujol mull

  • 圖譜

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