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4(1H)-Isoquinolinone, 3-methyl-1,1-diphenyl-

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

4(1H)-Isoquinolinone, 3-methyl-1,1-diphenyl-
SpectraBase Compound ID CFgGyYBbvCX
InChI InChI=1S/C22H17NO/c1-16-21(24)19-14-8-9-15-20(19)22(23-16,17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-15H,1H3
InChIKey GNKZJEIFESFABQ-UHFFFAOYSA-N
Mol Weight 311.38 g/mol
Molecular Formula C22H17NO
Exact Mass 311.131014 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8TlZZShKDTK
Name 4(1H)-Isoquinolinone, 3-methyl-1,1-diphenyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 311.131014170 u
Formula C22H17NO
InChI InChI=1S/C22H17NO/c1-16-21(24)19-14-8-9-15-20(19)22(23-16,17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-15H,1H3
InChIKey GNKZJEIFESFABQ-UHFFFAOYSA-N
SMILES C1(N=C(C(C=2C=CC=CC12)=O)C)(C=1C=CC=CC1)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.932745