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Mixture of 6-n-butyl-2,2-dimethylcyclohexanone and 2-n-butyl-2,6-dimethylcyclo hexanone
SpectraBase Compound ID 96cmOFIv9yY
InChI InChI=1S/C12H22O/c1-4-5-7-10-8-6-9-12(2,3)11(10)13/h10H,4-9H2,1-3H3
InChIKey TYEBEOOFVOEFPA-UHFFFAOYSA-N
Mol Weight 182.31 g/mol
Molecular Formula C12H22O
Exact Mass 182.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1QgDbUeNMDC
Name Mixture of 6-n-butyl-2,2-dimethylcyclohexanone and 2-n-butyl-2,6-dimethylcyclo hexanone
Alternate Name(s) 6-Butyl-2,2-dimethylcyclohexanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O
InChI InChI=1S/C12H22O/c1-4-5-7-10-8-6-9-12(2,3)11(10)13/h10H,4-9H2,1-3H3
InChIKey TYEBEOOFVOEFPA-UHFFFAOYSA-N
Molecular Weight 182.307 g/mol
SMILES C1(C(CCCC1CCCC)(C)C)=O
SPLASH splash10-01si-5900000000-a75f33f67c55d7989e98
Source of Spectrum C-97-113-0
Wiley ID 1179099