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4-Cyclopentene-1,3-dione, 4,5-diphenyl-

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

4-Cyclopentene-1,3-dione, 4,5-diphenyl-
SpectraBase Compound ID 15E2Q1SWoTw
InChI InChI=1S/C17H12O2/c18-14-11-15(19)17(13-9-5-2-6-10-13)16(14)12-7-3-1-4-8-12/h1-10H,11H2
InChIKey KANCLAJQXUYKAC-UHFFFAOYSA-N
Mol Weight 248.28 g/mol
Molecular Formula C17H12O2
Exact Mass 248.08373 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 35JVfs2qhPW
Name 4-Cyclopentene-1,3-dione, 4,5-diphenyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 248.083729624 u
Formula C17H12O2
InChI InChI=1S/C17H12O2/c18-14-11-15(19)17(13-9-5-2-6-10-13)16(14)12-7-3-1-4-8-12/h1-10H,11H2
InChIKey KANCLAJQXUYKAC-UHFFFAOYSA-N
Molecular Weight 248.281 g/mol
SMILES C1(=O)CC(=O)C(=C1C1=CC=CC=C1)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.948382