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2439-10-3

多果定(2439-10-3)質(zhì)譜(MS)

產(chǎn)品名稱:多果定

CAS:2439-10-3

分子式:C15H33N3O2

分子量: 287.44

InChI:InChI=1S/C13H29N3.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15;1-2(3)4/h2-12H2,1H3,(H4,14,15,16);1H3,(H,3,4)

InChIKey: YIKWKLYQRFRGPM-UHFFFAOYSA-N

Smiles:N(CCCCCCCCCCCC)C(=N)N.C(O)(=O)C

  • 圖譜
    Mass

    MS2001-00698WA      
    dodine
    C13H29N3 C2H4O2     (Mass of molecular ion:    227)
    

       Source Temperature: 190 °C
       Sample Temperature:  20 °C
       Direct, 70 eV
       comment:  water solution, remove water peaks
    

          14.0       2.0
          15.0       5.2
          18.0       4.4
          26.0       1.1
          27.0      13.9
          28.0       6.3
          29.0      31.4
          30.0      51.6
          31.0       2.8
          39.0      10.4
          40.0       2.3
          41.0      62.1
          42.0      12.3
          43.0     100.0
          44.0      25.2
          45.0      23.6
          53.0       4.2
          54.0       3.0
          55.0      30.3
          56.0      13.0
          57.0      14.4
          58.0       4.0
          59.0      40.7
          60.0      18.4
          67.0       3.6
          68.0       1.4
          69.0      10.3
          70.0       3.9
          71.0       2.4
          72.0      77.1
          73.0      87.5
          74.0       2.9
          81.0       1.4
          83.0       4.4
          84.0       2.2
          85.0       1.4
          86.0      64.6
          87.0      50.1
          88.0       2.2
          97.0       1.8
          98.0       2.3
          99.0       1.3
         100.0      78.7
         101.0      21.6
         102.0       1.1
         112.0       1.4
         114.0      61.3
         115.0      14.0
         128.0      70.6
         129.0      13.0
         142.0      38.2
         143.0       9.8
         156.0      36.2
         157.0       7.0
         170.0      29.9
         171.0       6.2
         184.0      29.0
         185.0       6.2
         198.0      19.6
         199.0       3.0
         212.0       7.6
         213.0       1.1
         226.0      12.3
         227.0      48.4
         228.0       8.6
    

in DMSO-d6

  • 圖譜

in DMSO-d6

  • 圖譜

KBr disk

  • 圖譜

Nujol

  • 圖譜

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