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Propionic acid, 3-(isobutylthio)-
SpectraBase Compound ID HnyvqoFZsLe
InChI InChI=1S/C7H14O2S/c1-6(2)5-10-4-3-7(8)9/h6H,3-5H2,1-2H3,(H,8,9)
InChIKey MXMBQSVJABXGDK-UHFFFAOYSA-N
Mol Weight 162.25 g/mol
Molecular Formula C7H14O2S
Exact Mass 162.071451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 236tMKuFckS
Name Propionic acid, 3-(isobutylthio)-
CAS Registry Number 23246-19-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H14O2S
InChI InChI=1S/C7H14O2S/c1-6(2)5-10-4-3-7(8)9/h6H,3-5H2,1-2H3,(H,8,9)
InChIKey MXMBQSVJABXGDK-UHFFFAOYSA-N
Molecular Weight 162.247 g/mol
SMILES OC(CCSCC(C)C)=O
SPLASH splash10-0a4r-9100000000-270764b1e2ec7c3b6a73
Source of Spectrum B-22-1212-4
Synonyms 3-(Isobutylsulfanyl)propanoic acid 3-(2-Methylpropylsulfanyl)propanoic acid 3-(2-Methylpropylthio)propanoic acid 3-(isobutylthio)propionic acid
Wiley ID 13160