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7-Methyl-3,4-diphenyl-1H-isochromen-1-one

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

7-Methyl-3,4-diphenyl-1H-isochromen-1-one
SpectraBase Compound ID G74cBg7KABb
InChI InChI=1S/C22H16O2/c1-15-12-13-18-19(14-15)22(23)24-21(17-10-6-3-7-11-17)20(18)16-8-4-2-5-9-16/h2-14H,1H3
InChIKey KWZHUPLJWFEJRW-UHFFFAOYSA-N
Mol Weight 312.37 g/mol
Molecular Formula C22H16O2
Exact Mass 312.11503 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HempQckoXoO
Name 7-Methyl-3,4-diphenyl-1H-isochromen-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 312.115029753 u
Formula C22H16O2
InChI InChI=1S/C22H16O2/c1-15-12-13-18-19(14-15)22(23)24-21(17-10-6-3-7-11-17)20(18)16-8-4-2-5-9-16/h2-14H,1H3
InChIKey KWZHUPLJWFEJRW-UHFFFAOYSA-N
Molecular Weight 312.368 g/mol
SMILES C1(=CC=C2C(C3=CC=CC=C3)=C(C3=CC=CC=C3)OC(C2=C1)=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.884465