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8,9-Diphenyltricyclo(5,2,1,0(2,6))deca-4,8-dien-3-one

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

8,9-Diphenyltricyclo(5,2,1,0(2,6))deca-4,8-dien-3-one
SpectraBase Compound ID HD64gOVMtOq
InChI InChI=1S/C22H18O/c23-19-12-11-16-17-13-18(22(16)19)21(15-9-5-2-6-10-15)20(17)14-7-3-1-4-8-14/h1-12,16-18,22H,13H2
InChIKey APNUTSSHCCOFPX-UHFFFAOYSA-N
Mol Weight 298.38 g/mol
Molecular Formula C22H18O
Exact Mass 298.135765 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3bvT5X3HaPL
Name 8,9-Diphenyltricyclo(5,2,1,0(2,6))deca-4,8-dien-3-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 298.135765199 u
Formula C22H18O
InChI InChI=1S/C22H18O/c23-19-12-11-16-17-13-18(22(16)19)21(15-9-5-2-6-10-15)20(17)14-7-3-1-4-8-14/h1-12,16-18,22H,13H2
InChIKey APNUTSSHCCOFPX-UHFFFAOYSA-N
SMILES C12C(C3C(=C(C2C3)C2=CC=CC=C2)C2=CC=CC=C2)C=CC1=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.95017