DL-Homocysteinethiolactone hydrochloride(6038-19-3) 1H NMR
Product NameDL-Homocysteinethiolactone hydrochloride
CAS6038-19-3
Molecular FormulaC4H8ClNOS
Molecular Weight153.63
InChIInChI=1S/C4H7NOS.ClH/c5-3-1-2-7-4(3)6;/h3H,1-2,5H2;1H
InChIKey ZSEGSUBKDDEALH-UHFFFAOYSA-N
SmilesC1(N)CCSC1=O.Cl
400 MHz in D2O
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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
KBr disc
nujol mull
