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5-(Acetylthio)pentanoic acid
SpectraBase Compound ID 7StIcNOJzas
InChI InChI=1S/C7H12O3S/c1-6(8)11-5-3-2-4-7(9)10/h2-5H2,1H3,(H,9,10)
InChIKey MAXPMOBLPKHFSB-UHFFFAOYSA-N
Mol Weight 176.23 g/mol
Molecular Formula C7H12O3S
Exact Mass 176.050715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B4E3nRHHCj2
Name 5-(Acetylthio)pentanoic acid
Alternate Name(s) 5-(acetylthio)valeric acid 5-Ethanoylsulfanylpentanoic acid
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Formula C7H12O3S
InChI InChI=1S/C7H12O3S/c1-6(8)11-5-3-2-4-7(9)10/h2-5H2,1H3,(H,9,10)
InChIKey MAXPMOBLPKHFSB-UHFFFAOYSA-N
Molecular Weight 176.230 g/mol
SMILES OC(CCCCSC(=O)C)=O
SPLASH splash10-00lr-9600000000-18086ee1368c4a2b2d7d
Source of Spectrum KC-0-1515-20
Wiley ID 821491