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3-Benzylcyclopentanone
SpectraBase Compound ID AUoqQIJdxk0
InChI InChI=1S/C12H14O/c13-12-7-6-11(9-12)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2
InChIKey NCQWDCHWURQUQD-UHFFFAOYSA-N
Mol Weight 174.24 g/mol
Molecular Formula C12H14O
Exact Mass 174.104465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 49k2K8vTD9q
Name 3-Benzylcyclopentanone
CAS Registry Number 85163-16-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O
InChI InChI=1S/C12H14O/c13-12-7-6-11(9-12)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2
InChIKey NCQWDCHWURQUQD-UHFFFAOYSA-N
Molecular Weight 174.243 g/mol
SMILES C1(=O)CC(Cc2ccccc2)CC1
SPLASH splash10-00r6-6900000000-984b7bf68b7f2182ed98
Source of Spectrum J-54-3475-4
Synonyms 3-(Phenylmethyl)-1-cyclopentanone 3-(Phenylmethyl)cyclopentan-1-one 3-Benzylcyclopentan-1-one
Wiley ID 1171047