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3,8-Dimethyl-4-phenyl-1H-isochromen-1-one

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

3,8-Dimethyl-4-phenyl-1H-isochromen-1-one
SpectraBase Compound ID JO6xD63vTiG
InChI InChI=1S/C17H14O2/c1-11-7-6-10-14-15(11)17(18)19-12(2)16(14)13-8-4-3-5-9-13/h3-10H,1-2H3
InChIKey OWGJULVULXSGMO-UHFFFAOYSA-N
Mol Weight 250.3 g/mol
Molecular Formula C17H14O2
Exact Mass 250.09938 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID WF80qYtPox
Name 3,8-Dimethyl-4-phenyl-1H-isochromen-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 250.099379689 u
Formula C17H14O2
InChI InChI=1S/C17H14O2/c1-11-7-6-10-14-15(11)17(18)19-12(2)16(14)13-8-4-3-5-9-13/h3-10H,1-2H3
InChIKey OWGJULVULXSGMO-UHFFFAOYSA-N
Molecular Weight 250.297 g/mol
SMILES C=1(C2=CC=CC=C2)C=2C=CC=C(C2C(OC1C)=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.936494