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(1S,2S)-2-tert-butyl-1-methyl-4-oxo-1-cyclohexanecarboxylic acid methyl ester
SpectraBase Compound ID 4xpwCZ07UlI
InChI InChI=1S/C13H22O3/c1-12(2,3)10-8-9(14)6-7-13(10,4)11(15)16-5/h10H,6-8H2,1-5H3/t10-,13-/m0/s1
InChIKey ILISQOUPNFYQJU-GWCFXTLKSA-N
Mol Weight 226.32 g/mol
Molecular Formula C13H22O3
Exact Mass 226.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HdVKHbcJp8N
Name (1S,2S)-2-tert-butyl-1-methyl-4-oxo-1-cyclohexanecarboxylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O3
InChI InChI=1S/C13H22O3/c1-12(2,3)10-8-9(14)6-7-13(10,4)11(15)16-5/h10H,6-8H2,1-5H3/t10-,13-/m0/s1
InChIKey ILISQOUPNFYQJU-GWCFXTLKSA-N
Molecular Weight 226.316 g/mol
SMILES [C@@]1([C@](C(C)(C)C)(CC(CC1)=O)[H])(C(=O)OC)C
SPLASH splash10-03k9-0900000000-b61dcb4e1907fd1692fe
Source of Spectrum AJ-64-2998-5
Synonyms (1S,2S)-2-tert-butyl-4-keto-1-methyl-cyclohexanecarboxylic acid methyl ester Methyl (1S,2S)-2-tert-butyl-1-methyl-4-oxidanylidene-cyclohexane-1-carboxylate Methyl (1S,2S)-2-tert-butyl-1-methyl-4-oxo-cyclohexanecarboxylate Methyl (1S,2S)-2-tert-butyl-1-methyl-4-oxocyclohexane-1-carboxylate
Wiley ID 1227622