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3,4-Dibenzoylbicyclo[4.1.0]hept-3-ene

View entire compound with spectra: 1 FTIR

3,4-Dibenzoylbicyclo[4.1.0]hept-3-ene
SpectraBase Compound ID HfcChF8o8fu
InChI InChI=1S/C21H18O2/c22-20(14-7-3-1-4-8-14)18-12-16-11-17(16)13-19(18)21(23)15-9-5-2-6-10-15/h1-10,16-17H,11-13H2
InChIKey DTRXOXABTKYRLK-UHFFFAOYSA-N
Mol Weight 302.37 g/mol
Molecular Formula C21H18O2
Exact Mass 302.13068 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Oghdk9fSpv
Name 3,4-Dibenzoylbicyclo[4.1.0]hept-3-ene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 302.130679818 u
Formula C21H18O2
InChI InChI=1S/C21H18O2/c22-20(14-7-3-1-4-8-14)18-12-16-11-17(16)13-19(18)21(23)15-9-5-2-6-10-15/h1-10,16-17H,11-13H2
InChIKey DTRXOXABTKYRLK-UHFFFAOYSA-N
SMILES C1(=CC=CC=C1)C(C=1CC2C(CC1C(C1=CC=CC=C1)=O)C2)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.961509