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1-Methyl-3-phenyl-1H-benzo[g]isochromene-5,10-dione

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

1-Methyl-3-phenyl-1H-benzo[g]isochromene-5,10-dione
SpectraBase Compound ID A3FH5PNq17n
InChI InChI=1S/C20H14O3/c1-12-18-16(11-17(23-12)13-7-3-2-4-8-13)19(21)14-9-5-6-10-15(14)20(18)22/h2-12H,1H3
InChIKey XBQYVUSUYHWOBN-UHFFFAOYSA-N
Mol Weight 302.33 g/mol
Molecular Formula C20H14O3
Exact Mass 302.094294 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GbqYxStBjem
Name 1-Methyl-3-phenyl-1H-benzo[G]isochromene-5,10-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 302.094294308 u
Formula C20H14O3
InChI InChI=1S/C20H14O3/c1-12-18-16(11-17(23-12)13-7-3-2-4-8-13)19(21)14-9-5-6-10-15(14)20(18)22/h2-12H,1H3
InChIKey XBQYVUSUYHWOBN-UHFFFAOYSA-N
SMILES C1(C2=C(C=C(O1)C=1C=CC=CC1)C(C=1C=CC=CC1C2=O)=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.855556