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ACETIC ACID, MERCAPTO-, ISOPENTYL ESTER
SpectraBase Compound ID 3xKKw12DmVa
InChI InChI=1S/C7H14O2S/c1-6(2)3-4-9-7(8)5-10/h6,10H,3-5H2,1-2H3
InChIKey WNMCXBGTMQTKEU-UHFFFAOYSA-N
Mol Weight 162.25 g/mol
Molecular Formula C7H14O2S
Exact Mass 162.071451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 47dfKenaaQk
Name Acetic acid, mercapto-, 3-methylbutyl ester
Alternate Name(s) Isopentyl sulfanylacetate 2-Mercaptoacetic acid 3-methylbutyl ester 2-Mercaptoacetic acid isoamyl ester 3-Methylbutyl 2-sulfanylacetate 3-Methylbutyl 2-sulfanylethanoate Iso-pentyl mercapto-acetate Acetic acid, mercapto-, isopentyl ester Isoamyl thioglycolate Isopentyl 2-sulfanylacetate Isopentyl thioglycolate Isopentyl 2-mercaptoacetate
CAS Registry Number 16849-97-1
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Formula C7H14O2S
InChI InChI=1S/C7H14O2S/c1-6(2)3-4-9-7(8)5-10/h6,10H,3-5H2,1-2H3
InChIKey WNMCXBGTMQTKEU-UHFFFAOYSA-N
Molecular Weight 162.247 g/mol
SMILES SCC(=O)OCCC(C)C
SPLASH splash10-0006-9000000000-380caca540c370244f88
Source of Spectrum JX-2015-6-1366
Wiley ID 1728029