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Methyl 2-(acetylamino)-3-[(2-hydroxycyclohexyl)sulfanyl]propanoate
SpectraBase Compound ID 9GRZ2nmxV68
InChI InChI=1S/C12H21NO4S/c1-8(14)13-9(12(16)17-2)7-18-11-6-4-3-5-10(11)15/h9-11,15H,3-7H2,1-2H3,(H,13,14)
InChIKey OGVABRFVDNWHOH-UHFFFAOYSA-N
Mol Weight 275.36 g/mol
Molecular Formula C12H21NO4S
Exact Mass 275.119129 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DRclcBomySk
Name Methyl 2-(acetylamino)-3-[(2-hydroxycyclohexyl)sulfanyl]propanoate
Alternate Name(s) 2-Acetamido-3-[(2-hydroxycyclohexyl)thio]propanoic acid methyl ester 2-Acetamido-3-[(2-hydroxycyclohexyl)thio]propionic acid methyl ester L-Cysteine, N-acetyl-S-(2-hydroxycyclohexyl)-, methyl ester Methyl 2-acetamido-3-(2-hydroxycyclohexyl)sulfanyl-propanoate Methyl 2-acetamido-3-(2-oxidanylcyclohexyl)sulfanyl-propanoate N-acetyl-S-(2-hydroxycyclohexyl)-L-cysteine methyl ester S-(2-hydroxycyclohexyl)-N-acetyl-(l)-cysteine methyl ester trans-S-2-Hydroxycyclohexyl-N-acetyl-L-cysteine methyl ester
CAS Registry Number 78414-55-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H21NO4S
InChI InChI=1S/C12H21NO4S/c1-8(14)13-9(12(16)17-2)7-18-11-6-4-3-5-10(11)15/h9-11,15H,3-7H2,1-2H3,(H,13,14)
InChIKey OGVABRFVDNWHOH-UHFFFAOYSA-N
Molecular Weight 275.363 g/mol
SMILES N(C(C)=O)C(CSC1C(CCCC1)O)C(=O)OC
SPLASH splash10-0015-9620000000-1da91a72627e585a1c8a
Source of Spectrum W5-1989-33311-32225
Wiley ID 1278896