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3-MERCAPTOBUTYRIC ACID, ACETATE
SpectraBase Compound ID JDFMW1YJbFU
InChI InChI=1S/C6H10O3S/c1-4(3-6(8)9)10-5(2)7/h4H,3H2,1-2H3,(H,8,9)
InChIKey BSPJWLYNHHCMDG-UHFFFAOYSA-N
Mol Weight 162.2 g/mol
Molecular Formula C6H10O3S
Exact Mass 162.035065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 43gemw0cW8
Name Butanoic acid, 3-(acetylthio)-
Alternate Name(s) 3-(acetylthio)butanoic acid 3-(Acetylthio)butyric acid 3-Ethanoylsulfanylbutanoic acid
CAS Registry Number 63684-46-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H10O3S
InChI InChI=1S/C6H10O3S/c1-4(3-6(8)9)10-5(2)7/h4H,3H2,1-2H3,(H,8,9)
InChIKey BSPJWLYNHHCMDG-UHFFFAOYSA-N
Molecular Weight 162.203 g/mol
SMILES OC(CC(C)SC(C)=O)=O
SPLASH splash10-03kd-9300000000-0d79f76f39bf8c0bb9ff
Source of Spectrum RB-1982-10198-0
Wiley ID 85330