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2-Tert-butyl-3-methyl-3-phenylisoindolin-1-one

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

2-Tert-butyl-3-methyl-3-phenylisoindolin-1-one
SpectraBase Compound ID En43AbPSTso
InChI InChI=1S/C19H21NO/c1-18(2,3)20-17(21)15-12-8-9-13-16(15)19(20,4)14-10-6-5-7-11-14/h5-13H,1-4H3
InChIKey MSPSJXKTKAUNEJ-UHFFFAOYSA-N
Mol Weight 279.38 g/mol
Molecular Formula C19H21NO
Exact Mass 279.162314 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ItCFWTMd7KW
Name 2-Tert-butyl-3-methyl-3-phenylisoindolin-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 279.162314299 u
Formula C19H21NO
InChI InChI=1S/C19H21NO/c1-18(2,3)20-17(21)15-12-8-9-13-16(15)19(20,4)14-10-6-5-7-11-14/h5-13H,1-4H3
InChIKey MSPSJXKTKAUNEJ-UHFFFAOYSA-N
SMILES C1(N(C(C=2C=CC=CC12)(C=1C=CC=CC1)C)C(C)(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.943292