3-（2-噻嗯基）丙烯酸(15690-25-2)核磁圖(¹HNMR)

產(chǎn)品名稱:3-（2-噻嗯基）丙烯酸

CAS:15690-25-2

分子式:C7H6O2S

分子量: 154.19

InChI:InChI=1S/C7H6O2S/c8-7(9)4-3-6-2-1-5-10-6/h1-5H,(H,8,9)/b4-3+

InChIKey: KKMZQOIASVGJQE-ONEGZZNKSA-N

Smiles:C(O)(=O)/C=C/C1SC=CC=1

Mass

MS-NW-7995          
trans-3-(2-thienyl)acrylic acid
C7H6O2S             (Mass of molecular ion:    154)

   Source Temperature: 140 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      17.0       1.1
      18.0       5.5
      27.0       2.2
      28.0       2.2
      37.0       2.4
      38.0       4.2
      39.0      19.4
      40.0       1.1
      44.0       1.0
      45.0      17.0
      49.0       1.3
      50.0       4.9
      51.0       6.5
      53.0       1.9
      54.0       2.8
      54.5       2.7
      55.0       1.9
      57.0       4.0
      58.0       6.6
      59.0       2.2
      61.0       1.6
      62.0       2.7
      63.0       8.6
      64.0       1.4
      65.0      26.5
      66.0       2.6
      68.5       2.7
      69.0      11.6
      70.0       1.1
      71.0       1.9
      74.0       2.0
      75.0       1.3
      77.0       2.0
      81.0       1.9
      82.0       3.2
      83.0       1.6
      84.0       3.7
      85.0       1.5
      93.0       1.6
      97.0      12.1
      98.0       2.3
     100.0       1.3
     108.0      13.7
     109.0      33.5
     110.0       3.8
     111.0       3.0
     112.0       9.2
     113.0       3.7
     121.0      35.2
     122.0       3.0
     125.0       1.4
     126.0       3.3
     137.0      43.1
     138.0       3.8
     139.0       2.1
     153.0       6.3
     154.0     100.0
     155.0       9.2
     156.0       5.3

90 MHz at 46C

¹H NMR	89.56 MHz
C₇ H₆ O₂ S	0.040 g : 0.5 ml CDCl₃ at 46C
trans-3-(2-thienyl)acrylic acid

    Assign.     Shift(ppm)

      A            11.68
      B             7.864
      C             7.397
      D             7.274
      E             7.056
      F             6.238
     
     J(B,F)=15.7HZ
     J(E,C)=5.1HZ
     J(E,D)=3.7HZ

     Hz     ppm     Int.

   1045.81  11.678    368
    713.07   7.962    608
    697.44   7.788    746
    665.39   7.430    450
    664.54   7.421    345
    660.35   7.374    624
    657.28   7.339     99
    654.54   7.309    431
    653.94   7.302    443
    653.43   7.297    420
    650.87   7.268    648
    650.35   7.262    607
    649.76   7.256    512
    635.74   7.099    835
    632.07   7.058    616
    630.70   7.043    638
    627.03   7.002    452
    565.93   6.320   1000
    550.29   6.145    813

in CDCl3