6038-19-3

DL-高半胱氨酸硫内酯盐酸盐(6038-19-3)红外图谱(IR1)

产品名称:DL-高半胱氨酸硫内酯盐酸盐

CAS:6038-19-3

分子式:C4H8ClNOS

分子量: 153.63

InChI:InChI=1S/C4H7NOS.ClH/c5-3-1-2-7-4(3)6;/h3H,1-2,5H2;1H

InChIKey: ZSEGSUBKDDEALH-UHFFFAOYSA-N

Smiles:C1(N)CCSC1=O.Cl

400 MHz in D2O

¹H NMR	399.65 MHz
C₄ H₇ N O S	0.037 g : 0.5 ml D₂O
DL-homocysteine thiolactone hydrochloride

    Assign.     Shift(ppm)

      A             4.344
      B     *1      3.536
      C     *1      3.481
      D     *2      2.846
      E     *2      2.284
     
     SOLVENT PEAK REMOVED

     Hz     ppm     Int.

   1746.46   4.370    772
   1746.09   4.370    741
   1739.38   4.353    846
   1739.01   4.352    798
   1733.40   4.338    841
   1733.03   4.337    812
   1726.32   4.320    848
   1725.95   4.319    800
   1428.96   3.576    298
   1423.83   3.563    328
   1417.36   3.547    929
   1412.23   3.534   1000
   1405.64   3.518    814
   1400.63   3.505    910
   1399.66   3.503    807
   1398.32   3.499    784
   1392.21   3.484    662
   1391.85   3.483    668
   1390.75   3.480    789
   1388.18   3.474    327
   1387.70   3.473    312
   1386.72   3.470    330
   1380.74   3.455    251
   1380.25   3.454    250
   1379.15   3.451    259
   1150.76   2.880    277
   1149.29   2.876    321
   1145.75   2.867    304
   1144.17   2.863    414
   1142.21   2.859    357
   1138.55   2.849    505
   1137.08   2.846    594
   1133.18   2.836    344
   1131.71   2.832    462
   1131.23   2.831    437
   1129.76   2.827    388
   1126.10   2.818    306
   1124.63   2.815    316
    935.55   2.341    271
    928.10   2.323    301
    923.83   2.312    384
    922.97   2.310    455
    916.26   2.293    376
    915.65   2.292    447
    915.04   2.290    433
    911.25   2.281    434
    910.89   2.280    421
    910.03   2.278    379
    903.81   2.262    374
    903.32   2.261    407
    902.59   2.259    373
    898.32   2.248    237
    890.87   2.230    214

in D2O