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S-(tert-Butyl) 2-methyl-5-oxohexanethioate
SpectraBase Compound ID DnLTaDH2gYw
InChI InChI=1S/C11H20O2S/c1-8(6-7-9(2)12)10(13)14-11(3,4)5/h8H,6-7H2,1-5H3
InChIKey OYOHPPZLXNWQFT-UHFFFAOYSA-N
Mol Weight 216.34 g/mol
Molecular Formula C11H20O2S
Exact Mass 216.118401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FqfDAbTAYMn
Name S-(tert-Butyl) 2-methyl-5-oxohexanethioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H20O2S
InChI InChI=1S/C11H20O2S/c1-8(6-7-9(2)12)10(13)14-11(3,4)5/h8H,6-7H2,1-5H3
InChIKey OYOHPPZLXNWQFT-UHFFFAOYSA-N
Molecular Weight 216.339 g/mol
SMILES C(SC(C)(C)C)(=O)C(CCC(=O)C)C
SPLASH splash10-004l-9300000000-7e91b333b88dda119e58
Source of Spectrum CM-1999-20796-0
Synonyms 2-Methyl-5-oxohexanethioic acid S-tert-butyl ester 2-Methyl-5-oxohexanethioic acid, S-t-butyl ester 5-keto-2-methyl-hexanethioic acid S-tert-butyl ester S-tert-butyl 2-methyl-5-oxohexanethioate S-tert-butyl 2-methyl-5-oxidanylidene-hexanethioate S-tert-butyl 2-methyl-5-oxo-hexanethioate
Wiley ID 483150