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2-(3-Oxocyclohexyl)thiopropionic acid, S-t-butyl ester
SpectraBase Compound ID IHGm3sjFCZQ
InChI InChI=1S/C13H22O2S/c1-9(12(15)16-13(2,3)4)10-6-5-7-11(14)8-10/h9-10H,5-8H2,1-4H3
InChIKey VYOLLXPWPUEEPL-UHFFFAOYSA-N
Mol Weight 242.38 g/mol
Molecular Formula C13H22O2S
Exact Mass 242.134051 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LhShM4BT3qI
Name 2-(3-OXOCYCLOHEXYL)THIOPROPIONIC ACID, S-tert-BUTYL ESTER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H22O2S
InChI InChI=1S/C13H22O2S/c1-9(12(15)16-13(2,3)4)10-6-5-7-11(14)8-10/h9-10H,5-8H2,1-4H3
InChIKey VYOLLXPWPUEEPL-UHFFFAOYSA-N
Molecular Weight 242.1335
SMILES C1C(=O)CCCC1C(C(SC(C)(C)C)=O)C
SPLASH splash10-0a6r-9500000000-a059f02d6e015f327d4b
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany