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2-Phenylcycloheptanone
SpectraBase Compound ID KmLSMb1UETE
InChI InChI=1S/C13H16O/c14-13-10-6-2-5-9-12(13)11-7-3-1-4-8-11/h1,3-4,7-8,12H,2,5-6,9-10H2
InChIKey PVHNKILPLXXDDZ-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 3Z1uL0RXjLl
Name 2-Phenyl-1-cycloheptanone
Alternate Name(s) 2-Phenylcycloheptan-1-one 2-Phenylcycloheptanone EINECS 239-083-5
CAS Registry Number 14996-78-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O
InChI InChI=1S/C13H16O/c14-13-10-6-2-5-9-12(13)11-7-3-1-4-8-11/h1,3-4,7-8,12H,2,5-6,9-10H2
InChIKey PVHNKILPLXXDDZ-UHFFFAOYSA-N
Molecular Weight 188.270 g/mol
SMILES C1(=O)C(CCCCC1)c1ccccc1
SPLASH splash10-0v03-9700000000-fcc4fea0d529a878e4ec
Source of Spectrum J-52-3698-0
Wiley ID 1185170