For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

5-Phenyl-5,6,8,9-tetrahydrobenzocyclohepten-7-one

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

5-Phenyl-5,6,8,9-tetrahydrobenzocyclohepten-7-one
SpectraBase Compound ID DDOmk0nvCci
InChI InChI=1S/C17H16O/c18-15-11-10-14-8-4-5-9-16(14)17(12-15)13-6-2-1-3-7-13/h1-9,17H,10-12H2
InChIKey JYVAWEOUJSDWGG-UHFFFAOYSA-N
Mol Weight 236.31 g/mol
Molecular Formula C17H16O
Exact Mass 236.120115 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

Subscribe to view the full spectrum.

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 8gXTxxTamyY
Name 5-Phenyl-5,6,8,9-tetrahydrobenzocyclohepten-7-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 236.120115134 u
Formula C17H16O
InChI InChI=1S/C17H16O/c18-15-11-10-14-8-4-5-9-16(14)17(12-15)13-6-2-1-3-7-13/h1-9,17H,10-12H2
InChIKey JYVAWEOUJSDWGG-UHFFFAOYSA-N
Molecular Weight 236.314 g/mol
SMILES C1(c2c(CCC(C1)=O)cccc2)c1ccccc1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.944472