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4-Phenylcycloheptanone
SpectraBase Compound ID 3zLHCOYa9rE
InChI InChI=1S/C13H16O/c14-13-8-4-7-12(9-10-13)11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2
InChIKey BVWZAWYJLYZIQD-UHFFFAOYSA-N
Mol Weight 188.27 g/mol
Molecular Formula C13H16O
Exact Mass 188.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ClQ0btA5yc
Name 4-Phenylcycloheptanone
Alternate Name(s) 4-Phenyl-1-cycloheptanone 4-Phenylcycloheptan-1-one Cycloheptanone, 4-phenyl-
CAS Registry Number 67688-28-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O
InChI InChI=1S/C13H16O/c14-13-8-4-7-12(9-10-13)11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2
InChIKey BVWZAWYJLYZIQD-UHFFFAOYSA-N
Molecular Weight 188.270 g/mol
SMILES C1(=O)CCC(CCC1)c1ccccc1
SPLASH splash10-014r-3900000000-5bb3b39da5c2be7cd486
Source of Spectrum HE-1986-1349-0
Wiley ID 1185103