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6,6-Dimethyl-2-cyclohexen-1-one
SpectraBase Compound ID 7nhLAcS17nd
InChI InChI=1S/C8H12O/c1-8(2)6-4-3-5-7(8)9/h3,5H,4,6H2,1-2H3
InChIKey KEYIROCHSRBPLS-UHFFFAOYSA-N
Mol Weight 124.18 g/mol
Molecular Formula C8H12O
Exact Mass 124.088815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4jqNgdqM5mR
Name 6,6-Dimethyl-1-cyclohex-2-enone
Alternate Name(s) 6,6-Dimethylcyclohex-2-en-1-one 6,6-Dimethyl-2-cyclohexen-1-one 6,6-Dimethylcyclohex-2-enone
CAS Registry Number 6553-64-6
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12O
InChI InChI=1S/C8H12O/c1-8(2)6-4-3-5-7(8)9/h3,5H,4,6H2,1-2H3
InChIKey KEYIROCHSRBPLS-UHFFFAOYSA-N
Molecular Weight 124.183 g/mol
SMILES C1(C(CCC=C1)(C)C)=O
SPLASH splash10-014i-9100000000-1ed2de76aeceaeac89a0
Source of Spectrum H-59-2020-21
Wiley ID 1128944