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Propanoic acid, 2-[(1,1-dimethylethoxy)methyl]-3-(ethylthio)-2-methyl-3-oxo-, methyl ester, (S)-
SpectraBase Compound ID DkqoKHQVBB
InChI InChI=1S/C12H22O4S/c1-7-17-10(14)12(5,9(13)15-6)8-16-11(2,3)4/h7-8H2,1-6H3/t12-/m0/s1
InChIKey MIPDZIVUDPERAX-LBPRGKRZSA-N
Mol Weight 262.36 g/mol
Molecular Formula C12H22O4S
Exact Mass 262.12388 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2U0Ku5DveUC
Name Propanoic acid, 2-[(1,1-dimethylethoxy)methyl]-3-(ethylthio)-2-methyl-3-oxo-, methyl ester, (S)-
CAS Registry Number 131504-46-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O4S
InChI InChI=1S/C12H22O4S/c1-7-17-10(14)12(5,9(13)15-6)8-16-11(2,3)4/h7-8H2,1-6H3/t12-/m0/s1
InChIKey MIPDZIVUDPERAX-LBPRGKRZSA-N
Molecular Weight 262.364 g/mol
SMILES [C@](C(=O)SCC)(C(=O)OC)(COC(C)(C)C)C
SPLASH splash10-0a4i-9000000000-5733be79f705775cf2f4
Source of Spectrum H-73-1666-3
Synonyms (-)-(S)-Methyl-3-(tert-butoxy)-2-[(ethylthio)carbonyl]-2-methylpropanoate Methyl (2S)-2-(tert-butoxymethyl)-3-(ethylsulfanyl)-2-methyl-3-oxopropanoate
Wiley ID 1265461