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3-(methylthio)pentanoic acid
SpectraBase Compound ID 7Y4O6xSaEFF
InChI InChI=1S/C6H12O2S/c1-3-5(9-2)4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)
InChIKey OPEITBWCEQGRJP-UHFFFAOYSA-N
Mol Weight 148.22 g/mol
Molecular Formula C6H12O2S
Exact Mass 148.055801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JgCdmi6y8Fh
Name 3-(methylthio)pentanoic acid
Alternate Name(s) 3-(methylsulfanyl)pentanoic acid 3-Methylsulfanylpentanoic acid
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Formula C6H12O2S
InChI InChI=1S/C6H12O2S/c1-3-5(9-2)4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)
InChIKey OPEITBWCEQGRJP-UHFFFAOYSA-N
Molecular Weight 148.220 g/mol
SMILES OC(CC(SC)CC)=O
SPLASH splash10-03dv-9200000000-86c8249f46c1b6ca820d
Source of Spectrum VC-1981-881-0
Wiley ID 1145183