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3,3-Dimethyl-cyclohexanone
SpectraBase Compound ID EZUh2pjObhn
InChI InChI=1S/C8H14O/c1-8(2)5-3-4-7(9)6-8/h3-6H2,1-2H3
InChIKey ZVJQBBYAVPAFLX-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 F49cHhhLlsn
Name Cyclohexanone, 3,3-dimethyl-
Alternate Name(s) 3,3-Dimethyl-1-cyclohexanone 3,3-Dimethylcyclohexan-1-one 3,3-Dimethylcyclohexanone
CAS Registry Number 2979-19-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H14O
InChI InChI=1S/C8H14O/c1-8(2)5-3-4-7(9)6-8/h3-6H2,1-2H3
InChIKey ZVJQBBYAVPAFLX-UHFFFAOYSA-N
Molecular Weight 126.199 g/mol
SMILES C1(CC(=O)CCC1)(C)C
SPLASH splash10-053r-9300000000-1c1946b2af7e6ff5d46d
Source of Spectrum F-43-277-16
Wiley ID 1130257