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2-Benzyl-3,4-dihydro-1(2H)-isoquinolinone

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

2-Benzyl-3,4-dihydro-1(2H)-isoquinolinone
SpectraBase Compound ID A1EVHapKRtz
InChI InChI=1S/C16H15NO/c18-16-15-9-5-4-8-14(15)10-11-17(16)12-13-6-2-1-3-7-13/h1-9H,10-12H2
InChIKey MDQDPTFLHWZMPT-UHFFFAOYSA-N
Mol Weight 237.3 g/mol
Molecular Formula C16H15NO
Exact Mass 237.115364 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Fil8KxGM1GN
Name 2-Benzyl-3,4-dihydro-1(2H)-isoquinolinone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 237.115364106 u
Formula C16H15NO
InChI InChI=1S/C16H15NO/c18-16-15-9-5-4-8-14(15)10-11-17(16)12-13-6-2-1-3-7-13/h1-9H,10-12H2
InChIKey MDQDPTFLHWZMPT-UHFFFAOYSA-N
Molecular Weight 237.302 g/mol
SMILES C1(N(CC=2C=CC=CC2)CCC2=C1C=CC=C2)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.929089