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2-Methylthio-4-octenoic acid
SpectraBase Compound ID EdEmPgcpDCt
InChI InChI=1S/C9H16O2S/c1-3-4-5-6-7-8(12-2)9(10)11/h5-6,8H,3-4,7H2,1-2H3,(H,10,11)
InChIKey LPXUSFZLJDDCKD-UHFFFAOYSA-N
Mol Weight 188.28 g/mol
Molecular Formula C9H16O2S
Exact Mass 188.087101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 94uc7U3LUNE
Name 2-Methylthio-4-octenoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O2S
InChI InChI=1S/C9H16O2S/c1-3-4-5-6-7-8(12-2)9(10)11/h5-6,8H,3-4,7H2,1-2H3,(H,10,11)
InChIKey LPXUSFZLJDDCKD-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.199800027
Molecular Weight 188.285 g/mol
SMILES OC(C(CC=CCCC)SC)=O
SPLASH splash10-0a4i-9400000000-b2ac52a64e7b457c2f7b
Source of Spectrum QA-45-160-3b
Synonyms 2-(methylthio)oct-4-enoic acid
Wiley ID 1797664