L-Cysteine ethyl ester hydrochloride(868-59-7) Raman
Product NameL-Cysteine ethyl ester hydrochloride
CAS868-59-7
Molecular FormulaC5H12ClNO2S
Molecular Weight185.67
InChIInChI=1/C5H11NO2S.ClH/c1-2-8-5(7)4(6)3-9;/h4,9H,2-3,6H2,1H3;1H/t4-;/s3
InChIKey JFKJWWJOCJHMGV-NDILARRWNA-N
SmilesC(=O)(OCC)[C@@H](N)CS.Cl |&1:5,r|
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MassMS-NW-2578 L-cysteine ethyl ester hydrochloride C5H11NO2S HCl (Mass of molecular ion: 149)
Source Temperature: 150 °C Sample Temperature: 120 °C Direct, 75 eV
15.0 2.7 18.0 1.3 19.0 1.1 27.0 5.1 28.0 14.8 29.0 10.4 30.0 6.8 35.0 3.0 36.0 25.3 38.0 8.3 41.0 1.9 42.0 8.2 43.0 12.0 44.0 1.3 45.0 1.9 46.0 6.3 47.0 3.4 48.0 1.7 57.0 1.1 58.0 1.2 59.0 21.7 74.0 24.2 75.0 13.0 76.0 100.0 77.0 4.0 78.0 4.5 102.0 31.6 103.0 2.3 149.0 1.5
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C5 H11 N O2 S 0.039 g : 0.5 ml DMSO-d6 L-cysteine ethyl ester hydrochloride 
Assign. Shift(ppm)
A 9.03 B 4.312 C 4.219 D 3.5 E *1 3.421 F *1 3.333 G 1.261
Hz ppm Int.3609.16 9.031 212 1729.74 4.329 79 1723.79 4.314 144 1718.14 4.300 81 1697.08 4.247 120 1689.91 4.229 391 1682.89 4.211 399 1675.72 4.193 126 1395.26 3.492 73 1378.63 3.450 77 1373.29 3.437 75 1363.98 3.413 121 1358.80 3.400 106 1340.64 3.355 107 1334.23 3.339 112 1326.14 3.319 65 1319.73 3.303 56 511.17 1.280 481 504.00 1.262 1000 496.98 1.244 453
in DMSO-d6
in D2O
KBr disc
nujol mull
