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

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

2-(1-Phenylethyl)-3-methylisoquinolin-1(2H)-one
SpectraBase Compound ID 9jwQd01B2vn
InChI InChI=1S/C18H17NO/c1-13-12-16-10-6-7-11-17(16)18(20)19(13)14(2)15-8-4-3-5-9-15/h3-12,14H,1-2H3
InChIKey QOIAIYUKRUMAPI-UHFFFAOYSA-N
Mol Weight 263.34 g/mol
Molecular Formula C18H17NO
Exact Mass 263.131014 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7kQi6Ow4W2Z
Name 2-(1-Phenylethyl)-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 263.131014170 u
Formula C18H17NO
InChI InChI=1S/C18H17NO/c1-13-12-16-10-6-7-11-17(16)18(20)19(13)14(2)15-8-4-3-5-9-15/h3-12,14H,1-2H3
InChIKey QOIAIYUKRUMAPI-UHFFFAOYSA-N
Molecular Weight 263.340 g/mol
SMILES C1(N(C(=CC=2C=CC=CC12)C)C(C)C=1C=CC=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.825762