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3,5-Cycloheptadien-1-one, 3,6-dimethyl-
SpectraBase Compound ID JgS8WxE444O
InChI InChI=1S/C9H12O/c1-7-3-4-8(2)6-9(10)5-7/h3-4H,5-6H2,1-2H3
InChIKey TYXPAPQOKXVXKR-UHFFFAOYSA-N
Mol Weight 136.19 g/mol
Molecular Formula C9H12O
Exact Mass 136.088815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9KhsdJhMFZG
Name 3,5-Cycloheptadien-1-one, 3,6-dimethyl-
Alternate Name(s) 3,6-Dimethyl-3,5-cycloheptadien-1-one 3,6-Dimethyl-3,5-cycloheptadienone
CAS Registry Number 94994-50-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12O
InChI InChI=1S/C9H12O/c1-7-3-4-8(2)6-9(10)5-7/h3-4H,5-6H2,1-2H3
InChIKey TYXPAPQOKXVXKR-UHFFFAOYSA-N
Molecular Weight 136.194 g/mol
SMILES C=1C=C(CC(CC1C)=O)C
SPLASH splash10-0006-9300000000-7fed66f532dc8fb3cd3f
Source of Spectrum J-50-896-13
Wiley ID 1136339