DL-CYSTEIC ACID(3024-83-7) 1H NMR
Product NameDL-CYSTEIC ACID
CAS3024-83-7
Molecular FormulaC3H7NO5S
Molecular Weight169.16
InChIInChI=1S/C3H7NO5S/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)
InChIKey XVOYSCVBGLVSOL-UHFFFAOYSA-N
SmilesC(O)(=O)C(CS(O)(=O)=O)N
400 MHz in D2O
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1H NMR 399.65 MHz C3 H7 N O5 S saturated in D2O DL-cysteic acid 
Assign. Shift(ppm)
A 4.470 B *1 3.578 C *1 3.463
Hz ppm Int.1792.60 4.486 658 1789.18 4.477 721 1784.18 4.465 773 1780.76 4.456 694 1441.28 3.607 542 1437.87 3.598 564 1426.15 3.569 1000 1422.73 3.560 937 1393.55 3.487 944 1389.28 3.477 25 1385.25 3.467 903 1381.96 3.458 27 1378.42 3.450 524 1370.12 3.429 528
KBr disc
nujol mull
