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2-Benzyl-3-methylisoquinolin-1(2H)-one

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

2-Benzyl-3-methylisoquinolin-1(2H)-one
SpectraBase Compound ID 72zPPLibo9S
InChI InChI=1S/C17H15NO/c1-13-11-15-9-5-6-10-16(15)17(19)18(13)12-14-7-3-2-4-8-14/h2-11H,12H2,1H3
InChIKey BLDBGWXKNQAHAX-UHFFFAOYSA-N
Mol Weight 249.31 g/mol
Molecular Formula C17H15NO
Exact Mass 249.115364 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID D1bmTmyeXYB
Name 2-Benzyl-3-methylisoquinolin-1(2H)-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 249.115364106 u
Formula C17H15NO
InChI InChI=1S/C17H15NO/c1-13-11-15-9-5-6-10-16(15)17(19)18(13)12-14-7-3-2-4-8-14/h2-11H,12H2,1H3
InChIKey BLDBGWXKNQAHAX-UHFFFAOYSA-N
Molecular Weight 249.313 g/mol
SMILES C1(N(C(=CC=2C=CC=CC12)C)CC=1C=CC=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.90426