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5-Methyl-2-(2-methylpropanoyl)cyclohexanone
SpectraBase Compound ID 5pEuX333UAS
InChI InChI=1S/C11H18O2/c1-7(2)11(13)9-5-4-8(3)6-10(9)12/h7-9H,4-6H2,1-3H3
InChIKey DTDALIHQIWXZAO-UHFFFAOYSA-N
Mol Weight 182.26 g/mol
Molecular Formula C11H18O2
Exact Mass 182.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 30cY5ppqV3x
Name 5-Methyl-2-(2-methylpropanoyl)cyclohexanone
CAS Registry Number 137919-78-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O2
InChI InChI=1S/C11H18O2/c1-7(2)11(13)9-5-4-8(3)6-10(9)12/h7-9H,4-6H2,1-3H3
InChIKey DTDALIHQIWXZAO-UHFFFAOYSA-N
Molecular Weight 182.263 g/mol
SMILES C1(C(CC(CC1)C)=O)C(=O)C(C)C
SPLASH splash10-000f-9300000000-726631b88d6de1fd29fb
Source of Spectrum K-125-522-6
Synonyms 2-isobutyryl-5-methylcyclohexanone
Wiley ID 1178876