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3-Phenyl-cycloheptan-2,4,6-trien-1-one
SpectraBase Compound ID B8tfKiljWdH
InChI InChI=1S/C13H10O/c14-13-9-5-4-8-12(10-13)11-6-2-1-3-7-11/h1-10H
InChIKey OIJFEKMUWROVGH-UHFFFAOYSA-N
Mol Weight 182.22 g/mol
Molecular Formula C13H10O
Exact Mass 182.073165 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9z5ZuckuwQc
Name 3-Phenyl-cycloheptan-2,4,6-trien-1-one
Alternate Name(s) 3-Phenyl-2,4,6-cycloheptatrien-1-one
CAS Registry Number 94957-22-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H10O
InChI InChI=1S/C13H10O/c14-13-9-5-4-8-12(10-13)11-6-2-1-3-7-11/h1-10H
InChIKey OIJFEKMUWROVGH-UHFFFAOYSA-N
Molecular Weight 182.222 g/mol
SMILES C1(=CC(C=CC=C1)=O)c1ccccc1
SPLASH splash10-0udi-1900000000-6ea84485b9f74fcf721f
Source of Spectrum J-50-894-4
Wiley ID 1179269