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Cyclohexanone, 3-(3,3-dimethylbutyl)-

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

Cyclohexanone, 3-(3,3-dimethylbutyl)-
SpectraBase Compound ID FxHSxCCdQsi
InChI InChI=1S/C12H22O/c1-12(2,3)8-7-10-5-4-6-11(13)9-10/h10H,4-9H2,1-3H3
InChIKey VRNWCRVRHPXEIV-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 6SBcBskmIID
Name Cyclohexanone, 3-(3,3-dimethylbutyl)-
CAS Registry Number 40564-94-1
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O
InChI InChI=1S/C12H22O/c1-12(2,3)8-7-10-5-4-6-11(13)9-10/h10H,4-9H2,1-3H3
InChIKey VRNWCRVRHPXEIV-UHFFFAOYSA-N
Molecular Weight 182.307 g/mol
SMILES C1CCC(CC1=O)CCC(C)(C)C
SPLASH splash10-0002-9000000000-7157b914420edd24a6b6
Source of Spectrum AC-73-347-2
Synonyms 3-(3,3-Dimethylbutyl)cyclohexanone 3-(3,3-dimethylbutyl)-1-cyclohexanone 3-(3,3-dimethylbutyl)cyclohexan-1-one
Wiley ID 1179100