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N-Acetyl-S-(3'-chloro-2'-hydroxypropyl)-cysteine Methyl Ester
SpectraBase Compound ID Ub3IhpMqet
InChI InChI=1S/C9H16ClNO4S/c1-6(12)11-8(9(14)15-2)5-16-4-7(13)3-10/h7-8,13H,3-5H2,1-2H3,(H,11,12)/t7?,8-/m1/s1
InChIKey INXLGVRWCQIVOW-BRFYHDHCSA-N
Mol Weight 269.74 g/mol
Molecular Formula C9H16ClNO4S
Exact Mass 269.048857 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gl2Nbs1LXSe
Name N-Acetyl-S-(3'-chloro-2'-hydroxypropyl)-cysteine Methyl Ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16ClNO4S
InChI InChI=1S/C9H16ClNO4S/c1-6(12)11-8(9(14)15-2)5-16-4-7(13)3-10/h7-8,13H,3-5H2,1-2H3,(H,11,12)/t7?,8-/m1/s1
InChIKey INXLGVRWCQIVOW-BRFYHDHCSA-N
Molecular Weight 269.743 g/mol
SMILES N([C@](CSCC(O)CCl)(C(=O)OC)[H])C(=O)C
SPLASH splash10-0203-3970000000-937faf88597c5cf3e25b
Source of Spectrum CRT-8-566-fig.4A/cpd.III
Wiley ID 1709493