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2-(2-Methyl-3-oxocyclohexyl)thiopropionic acid, S-t-butyl ester
SpectraBase Compound ID 2fNyk6OBQo7
InChI InChI=1S/C14H24O2S/c1-9-11(7-6-8-12(9)15)10(2)13(16)17-14(3,4)5/h9-11H,6-8H2,1-5H3
InChIKey YAVNXUWOXHAELT-UHFFFAOYSA-N
Mol Weight 256.4 g/mol
Molecular Formula C14H24O2S
Exact Mass 256.149701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ZQv6X3MTg
Name 2-(2-Methyl-3-oxocyclohexyl)thiopropionic acid, S-t-butyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H24O2S
InChI InChI=1S/C14H24O2S/c1-9-11(7-6-8-12(9)15)10(2)13(16)17-14(3,4)5/h9-11H,6-8H2,1-5H3
InChIKey YAVNXUWOXHAELT-UHFFFAOYSA-N
Molecular Weight 256.404 g/mol
SMILES CC(C1C(C(CCC1)=O)C)C(=O)SC(C)(C)C
SPLASH splash10-0670-9400000000-15d7e7aceed91d7676a6
Synonyms 2-(2-Methyl-3-oxocyclohexyl)propanethioic acid S-tert-butyl ester 2-(3-keto-2-methyl-cyclohexyl)propanethioic acid S-tert-butyl ester S-tert-butyl 2-(2-methyl-3-oxidanylidene-cyclohexyl)propanethioate S-tert-butyl 2-(2-methyl-3-oxo-cyclohexyl)propanethioate
Wiley ID 1482941