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5-(allylthio)valeric acid
SpectraBase Compound ID JvN6MMCf1fY
InChI InChI=1S/C8H14O2S/c1-2-6-11-7-4-3-5-8(9)10/h2H,1,3-7H2,(H,9,10)
InChIKey QNMBRZWQXWKPBR-UHFFFAOYSA-N
Mol Weight 174.26 g/mol
Molecular Formula C8H14O2S
Exact Mass 174.071451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7NPkaAF4lFL
Name 5-(allylthio)valeric acid
CAS Registry Number 131327-83-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H14O2S
InChI InChI=1S/C8H14O2S/c1-2-6-11-7-4-3-5-8(9)10/h2H,1,3-7H2,(H,9,10)
InChIKey QNMBRZWQXWKPBR-UHFFFAOYSA-N
Molecular Weight 174.258 g/mol
SMILES OC(=O)CCCCSCC=C
SPLASH splash10-00dl-8900000000-cc08f17be548aeb7f10f
Source of Spectrum F-46-6516-0
Synonyms 5-(prop-2-enylthio)pentanoic acid 5-Allylsulfanylpentanoic acid
Wiley ID 1170235