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(3-Oxo-2-pentylcyclopentyl)thioacetic acid, S-t-butyl ester
SpectraBase Compound ID 95mrEMpeJNU
InChI InChI=1S/C16H28O2S/c1-5-6-7-8-13-12(9-10-14(13)17)11-15(18)19-16(2,3)4/h12-13H,5-11H2,1-4H3
InChIKey VPHQCDLNMHRXHK-UHFFFAOYSA-N
Mol Weight 284.46 g/mol
Molecular Formula C16H28O2S
Exact Mass 284.181001 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8y0k16sQuMe
Name (3-Oxo-2-pentylcyclopentyl)thioacetic acid, S-t-butyl ester
Alternate Name(s) 2-(2-amyl-3-keto-cyclopentyl)ethanethioic acid S-tert-butyl ester 2-(3-oxo-2-pentylcyclopentyl)ethanethioic acid S-tert-butyl ester S-(tert-Butyl) (3-oxo-2-pentylcyclopentyl)ethanethioate S-tert-butyl 2-(3-oxidanylidene-2-pentyl-cyclopentyl)ethanethioate S-tert-butyl 2-(3-oxo-2-pentyl-cyclopentyl)ethanethioate
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Formula C16H28O2S
InChI InChI=1S/C16H28O2S/c1-5-6-7-8-13-12(9-10-14(13)17)11-15(18)19-16(2,3)4/h12-13H,5-11H2,1-4H3
InChIKey VPHQCDLNMHRXHK-UHFFFAOYSA-N
Molecular Weight 284.458 g/mol
SMILES C(CCC1C(CCC1=O)CC(=O)SC(C)(C)C)CC
SPLASH splash10-0pb9-9620000000-c4e2f1f7f7935e343635
Wiley ID 1481650