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3,5-Dimethyl-2-cyclohexen-1-one
SpectraBase Compound ID CZZMCeGQZSn
InChI InChI=1S/C8H12O/c1-6-3-7(2)5-8(9)4-6/h4,7H,3,5H2,1-2H3
InChIKey NOQKKFBBAODEHN-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 CBLnCa0ypUx
Name 2-Cyclohexen-1-one, 3,5-dimethyl-
Alternate Name(s) 3,5-dimethyl-1-cyclohex-2-enone 3,5-Dimethyl-2-cyclohexen-1-one 3,5-Dimethyl-2-cyclohexene-1-one 3,5-Dimethylcyclohex-2-en-1-one AI3-21772 EINECS 214-369-2
CAS Registry Number 1123-09-7
Comments Less than 3 mono-isotopic peaks
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Formula C8H12O
InChI InChI=1S/C8H12O/c1-6-3-7(2)5-8(9)4-6/h4,7H,3,5H2,1-2H3
InChIKey NOQKKFBBAODEHN-UHFFFAOYSA-N
Molecular Weight 124.183 g/mol
SMILES C1=C(CC(CC1=O)C)C
SPLASH splash10-001i-9300000000-a43113da78054a997429
Source of Spectrum AJ-65-2461-5
Wiley ID 771665