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2,2-Dimethyl-cyclohexanone
SpectraBase Compound ID 7oPBD2eXvaI
InChI InChI=1S/C8H14O/c1-8(2)6-4-3-5-7(8)9/h3-6H2,1-2H3
InChIKey KNSPBSQWRKKAPI-UHFFFAOYSA-N
Mol Weight 126.2 g/mol
Molecular Formula C8H14O
Exact Mass 126.104465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kbk1GnVsGMZ
Name Cyclohexanone, 2,2-dimethyl-
CAS Registry Number 1193-47-1
Comments Less than 3 mono-isotopic peaks
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Formula C8H14O
InChI InChI=1S/C8H14O/c1-8(2)6-4-3-5-7(8)9/h3-6H2,1-2H3
InChIKey KNSPBSQWRKKAPI-UHFFFAOYSA-N
Molecular Weight 126.199 g/mol
SMILES CC1(C(=O)CCCC1)C
SPLASH splash10-00di-0900000000-e28cb8003ec179b784e7
Source of Spectrum I-59-2108-0
Synonyms 2,2-Dimethyl-1-cyclohexanone 2,2-Dimethyl-cyclohexanone 2,2-dimethylcyclohexan-1-one 6,6-Dimethylcyclohexanone
Wiley ID 1130189