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Propanoic acid, 3-(ethylthio)-2-(hydroxymethyl)-2-methyl-3-oxo-, methyl ester, (S)-
SpectraBase Compound ID A8sZ6V5vGqt
InChI InChI=1S/C8H14O4S/c1-4-13-7(11)8(2,5-9)6(10)12-3/h9H,4-5H2,1-3H3/t8-/m0/s1
InChIKey JRHYDYQOPCBGSD-QMMMGPOBSA-N
Mol Weight 206.26 g/mol
Molecular Formula C8H14O4S
Exact Mass 206.06128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CvrcQ1uvPh2
Name Propanoic acid, 3-(ethylthio)-2-(hydroxymethyl)-2-methyl-3-oxo-, methyl ester, (S)-
CAS Registry Number 131504-47-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H14O4S
InChI InChI=1S/C8H14O4S/c1-4-13-7(11)8(2,5-9)6(10)12-3/h9H,4-5H2,1-3H3/t8-/m0/s1
InChIKey JRHYDYQOPCBGSD-QMMMGPOBSA-N
Molecular Weight 206.256 g/mol
SMILES OC[C@](C(=O)SCC)(C(=O)OC)C
SPLASH splash10-014s-5900000000-914aeb7d1b108ca3e896
Source of Spectrum H-73-1666-4
Synonyms (-)-(S)-Methyl-2-[(ethylthio)carbonyl]-3-hydroxy-2-methylpropanoate Methyl (2S)-3-(ethylsulfanyl)-2-(hydroxymethyl)-2-methyl-3-oxopropanoate
Wiley ID 1203851