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2-Phenyl-3-(p-tolyl)-4,5,6,7-tetrahydro-3H-isoindol-1-one

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

2-Phenyl-3-(p-tolyl)-4,5,6,7-tetrahydro-3H-isoindol-1-one
SpectraBase Compound ID Gf3QJfd2iY3
InChI InChI=1S/C21H21NO/c1-15-11-13-16(14-12-15)20-18-9-5-6-10-19(18)21(23)22(20)17-7-3-2-4-8-17/h2-4,7-8,11-14,20H,5-6,9-10H2,1H3
InChIKey MECJKJIGPIIECF-UHFFFAOYSA-N
Mol Weight 303.41 g/mol
Molecular Formula C21H21NO
Exact Mass 303.162314 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Faawdldzshd
Name 2-Phenyl-3-(p-tolyl)-4,5,6,7-tetrahydro-3H-isoindol-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 303.162314299 u
Formula C21H21NO
InChI InChI=1S/C21H21NO/c1-15-11-13-16(14-12-15)20-18-9-5-6-10-19(18)21(23)22(20)17-7-3-2-4-8-17/h2-4,7-8,11-14,20H,5-6,9-10H2,1H3
InChIKey MECJKJIGPIIECF-UHFFFAOYSA-N
Molecular Weight 303.405 g/mol
SMILES C1(N(C(C=2CCCCC12)C1=CC=C(C=C1)C)C=1C=CC=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.914454