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Methyl-1-benzoyl-3-phenyl-indene-2-carboxylate

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

Methyl-1-benzoyl-3-phenyl-indene-2-carboxylate
SpectraBase Compound ID 4c2a9cyXFag
InChI InChI=1S/C24H18O3/c1-27-24(26)22-20(16-10-4-2-5-11-16)18-14-8-9-15-19(18)21(22)23(25)17-12-6-3-7-13-17/h2-15,21H,1H3
InChIKey CESOTLQBYZADIX-UHFFFAOYSA-N
Mol Weight 354.41 g/mol
Molecular Formula C24H18O3
Exact Mass 354.125594 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GaptTNlOpgj
Name Methyl-1-benzoyl-3-phenyl-indene-2-carboxylate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 354.125594437 u
Formula C24H18O3
InChI InChI=1S/C24H18O3/c1-27-24(26)22-20(16-10-4-2-5-11-16)18-14-8-9-15-19(18)21(22)23(25)17-12-6-3-7-13-17/h2-15,21H,1H3
InChIKey CESOTLQBYZADIX-UHFFFAOYSA-N
Molecular Weight 354.405 g/mol
SMILES C(=O)(C1C(=C(C2=CC=CC=C12)C1=CC=CC=C1)C(=O)OC)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.874196