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(3-Oxocyclohexyl)thioacetic acid, S-t-butyl ester
SpectraBase Compound ID L9a6axovzaM
InChI InChI=1S/C12H20O2S/c1-12(2,3)15-11(14)8-9-5-4-6-10(13)7-9/h9H,4-8H2,1-3H3
InChIKey NMLHDSQNJKQXDG-UHFFFAOYSA-N
Mol Weight 228.35 g/mol
Molecular Formula C12H20O2S
Exact Mass 228.118401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KHmD1iQo07m
Name (3-OXOCYCLOHEXYL)THIOACETIC ACID, S-tert-BUTYL ESTER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H20O2S
InChI InChI=1S/C12H20O2S/c1-12(2,3)15-11(14)8-9-5-4-6-10(13)7-9/h9H,4-8H2,1-3H3
InChIKey NMLHDSQNJKQXDG-UHFFFAOYSA-N
Molecular Weight 228.1179
SMILES C1(CC(=O)CCC1)CC(SC(C)(C)C)=O
SPLASH splash10-052b-9300000000-976084b22bc103267f1c
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany