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(1'E,2RS,3RS)-2,3-dimethyl-2-(3'-oxobut-1'-enyl)cyclohexanone
SpectraBase Compound ID DTO23KsKpPD
InChI InChI=1S/C12H18O2/c1-9-5-4-6-11(14)12(9,3)8-7-10(2)13/h7-9H,4-6H2,1-3H3/b8-7+
InChIKey WDJFNSJYHHAMRB-BQYQJAHWSA-N
Mol Weight 194.27 g/mol
Molecular Formula C12H18O2
Exact Mass 194.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CFWK1BJ98xD
Name (1'E,2RS,3RS)-2,3-dimethyl-2-(3'-oxobut-1'-enyl)cyclohexanone
CAS Registry Number 131321-11-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O2
InChI InChI=1S/C12H18O2/c1-9-5-4-6-11(14)12(9,3)8-7-10(2)13/h7-9H,4-6H2,1-3H3/b8-7+
InChIKey WDJFNSJYHHAMRB-BQYQJAHWSA-N
Molecular Weight 194.274 g/mol
SMILES C1(\C=C\C(=O)C)(C(=O)CCCC1C)C
SPLASH splash10-0005-9400000000-df2ea51cf8841d592469
Source of Spectrum B-43-1386-24
Synonyms 2,3-Dimethyl-2-[(1E)-3-oxo-1-butenyl]cyclohexanone
Wiley ID 1191172