16310-13-7

噻唑烷-2-甲酸(16310-13-7)核磁图(¹³CNMR)

产品名称:噻唑烷-2-甲酸

CAS:16310-13-7

分子式:C4H7NO2S

分子量: 133.17

InChI:InChI=1S/C4H7NO2S/c6-4(7)3-5-1-2-8-3/h3,5H,1-2H2,(H,6,7)

InChIKey: ULSZVNJBVJWEJE-UHFFFAOYSA-N

Smiles:S1CCNC1C(O)=O

Mass

MS-IW-2680          
2-thiazolidinecarboxylic acid
C4H7NO2S            (Mass of molecular ion:    133)

   Source Temperature: 110 °C
   Sample Temperature:  90 °C
   Direct, 75 eV

      18.0       2.0
      27.0       3.6
      28.0       9.7
      35.0       1.9
      41.0       8.5
      42.0       3.3
      44.0       8.8
      45.0       7.0
      46.0       1.2
      58.0       2.1
      59.0       6.8
      60.0       4.6
      61.0      13.3
      69.0       6.9
      86.0       2.1
      87.0       4.6
      88.0     100.0
      89.0       4.7
      90.0       4.5
     133.0       4.7

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₄ H₇ N O₂ S	saturated in DMSO-d₆
2-thiazolidinecarboxylic acid

    Assign.     Shift(ppm)

      A             4.832
      B             3.363
      C             2.995
      D             2.80
      E             2.79

     Hz     ppm     Int.

   1931.27   4.833   1000
   1551.51   3.883     78
   1356.08   3.394    102
   1350.71   3.380    174
   1344.73   3.365    161
   1338.87   3.351    192
   1333.50   3.337    124
   1209.59   3.027    121
   1203.61   3.012    177
   1202.76   3.010    199
   1197.63   2.997    143
   1196.90   2.995    191
   1191.77   2.983    150
   1190.92   2.980    183
   1184.94   2.965    146
   1135.01   2.841     52
   1130.00   2.828     68
   1129.15   2.826     68
   1125.49   2.817    233
   1124.15   2.813     98
   1121.34   2.806    300
   1120.48   2.804    339
   1119.63   2.802    302
   1115.48   2.792    338
   1114.62   2.789    441
   1111.94   2.783     84
   1108.64   2.775    196
   1105.96   2.768     76
   1105.10   2.766     74
   1099.12   2.751     49

in DMSO-d6