L-Cysteine methyl ester hydrochloride(18598-63-5) IR1
Product NameL-Cysteine methyl ester hydrochloride
CAS18598-63-5
Molecular FormulaC4H10ClNO2S
Molecular Weight171.65
InChIInChI=1/C4H9NO2S.ClH/c1-7-4(6)3(5)2-8;/h3,8H,2,5H2,1H3;1H/t3-;/s3
InChIKey WHOHXJZQBJXAKL-OQFXAWDINA-N
Smiles[C@H](N)(CS)C(=O)OC.Cl |&1:0,r|
-
MassMS-NW-2577 L-cysteine methyl ester hydrochloride C4H9NO2S HCl (Mass of molecular ion: 135)
Source Temperature: 150 °C Sample Temperature: 120 °C Direct, 75 eV
15.0 9.7 18.0 1.5 27.0 1.2 28.0 17.1 29.0 3.4 30.0 8.2 33.0 26.0 35.0 4.2 36.0 35.4 37.0 1.3 38.0 11.3 41.0 2.7 42.0 12.5 43.0 15.5 45.0 3.6 46.0 1.8 47.0 5.5 48.0 2.0 57.0 1.3 58.0 1.8 59.0 29.8 60.0 3.7 61.0 1.5 74.0 3.6 75.0 10.5 76.0 100.0 77.0 3.7 78.0 4.1 86.0 1.4 88.0 60.1 89.0 5.6 135.0 2.5
400 MHz in D2O
-
1H NMR 399.65 MHz C4 H9 N O2 S 0.035 g : 0.5 ml D2O L-cysteine methyl ester hydrochloride 
Assign. Shift(ppm)
A 4.453 B 3.871 C *1 3.18 D *1 3.15 THE SOLVENT PEAK SUPPRESSED.
Hz ppm Int.1784.79 4.466 75 1779.42 4.453 112 1774.78 4.441 77 1549.44 3.877 71 1547.12 3.872 1000 1286.01 3.218 24 1280.40 3.204 23 1270.75 3.180 132 1264.40 3.164 202 1259.89 3.153 137 1249.15 3.126 28 1244.51 3.115 26
in D2O
KBr disc
nujol mull
