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Butanoic acid, 3-(methylthio)-
SpectraBase Compound ID HgwAXjEAgqP
InChI InChI=1S/C5H10O2S/c1-4(8-2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)
InChIKey QWAKSOMWGWIYQP-UHFFFAOYSA-N
Mol Weight 134.19 g/mol
Molecular Formula C5H10O2S
Exact Mass 134.040151 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ItCCOULzviK
Name Butanoic acid, 3-(methylthio)-
CAS Registry Number 16630-65-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H10O2S
InChI InChI=1S/C5H10O2S/c1-4(8-2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)
InChIKey QWAKSOMWGWIYQP-UHFFFAOYSA-N
Molecular Weight 134.193 g/mol
SMILES OC(CC(SC)C)=O
SPLASH splash10-004l-9100000000-8aac5e8f86e4926b6c59
Source of Spectrum LQ-1992-2091-0
Synonyms 3-(Methylsulfanyl)butanoic acid 3-(methylthio)butyric acid 3-(methylthio)butanoic acid EINECS 240-682-9
Wiley ID 149762