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3-Phenylcycloheptanone
SpectraBase Compound ID LYhIDYFROt0
InChI InChI=1S/C13H16O/c14-13-9-5-4-8-12(10-13)11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2
InChIKey JLDCLDZGNYDRKX-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 KCQDomkf3kc
Name 3-Phenylcycloheptanone
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O
InChI InChI=1S/C13H16O/c14-13-9-5-4-8-12(10-13)11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2
InChIKey JLDCLDZGNYDRKX-UHFFFAOYSA-N
Molecular Weight 188.270 g/mol
SMILES C1(CC(=O)CCCC1)c1ccccc1
SPLASH splash10-0f79-0900000000-f32e7f5650e2daff8bb8
Source of Spectrum F-68-1609-8a
Synonyms 3-Phenyl-1-cycloheptanone 3-Phenylcycloheptan-1-one
Wiley ID 1707750