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Propionic acid, 3-(butylthio)-, methyl ester
SpectraBase Compound ID 46Tmvh63uNy
InChI InChI=1S/C8H16O2S/c1-3-4-6-11-7-5-8(9)10-2/h3-7H2,1-2H3
InChIKey ACCUSPXLMBBGCR-UHFFFAOYSA-N
Mol Weight 176.27 g/mol
Molecular Formula C8H16O2S
Exact Mass 176.087101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AjCVvGLTJNA
Name Propionic acid, 3-(butylthio)-, methyl ester
CAS Registry Number 23246-22-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H16O2S
InChI InChI=1S/C8H16O2S/c1-3-4-6-11-7-5-8(9)10-2/h3-7H2,1-2H3
InChIKey ACCUSPXLMBBGCR-UHFFFAOYSA-N
Molecular Weight 176.274 g/mol
SMILES C(CSCCCC)C(OC)=O
SPLASH splash10-0570-9300000000-55dabbe6539e2560ff60
Source of Spectrum AD-0-5584-0
Synonyms Methyl 3-(butylsulfanyl)propanoate 3-(butylthio)propanoic acid methyl ester 3-(butylthio)propionic acid methyl ester
Wiley ID 17031