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2,6-Cycloheptadien-1-one, 3,6-dimethyl-
SpectraBase Compound ID Eot9t3HpzRc
InChI InChI=1S/C9H12O/c1-7-3-4-8(2)6-9(10)5-7/h5-6H,3-4H2,1-2H3
InChIKey ZGVOBNKMLOGPOQ-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 8g9AFnAMgXx
Name 2,6-Cycloheptadien-1-one, 3,6-dimethyl-
Alternate Name(s) 3,6-Dimethyl-1-cyclohepta-2,6-dienone 3,6-Dimethylcyclohepta-2,6-dien-1-one
CAS Registry Number 14470-72-5
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/h5-6H,3-4H2,1-2H3
InChIKey ZGVOBNKMLOGPOQ-UHFFFAOYSA-N
Molecular Weight 136.194 g/mol
SMILES C1(C=C(CCC(=C1)C)C)=O
SPLASH splash10-0006-9300000000-027b7dad53d7139b44ea
Source of Spectrum J-50-896-12
Wiley ID 1136340