For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

N-Methyl-4-benzyloxy-3-methoxyisoquinolin-1-one

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

N-Methyl-4-benzyloxy-3-methoxyisoquinolin-1-one
SpectraBase Compound ID 12DUZQJCu94
InChI InChI=1S/C18H19NO3/c1-19-9-8-14-10-16(21-2)17(11-15(14)18(19)20)22-12-13-6-4-3-5-7-13/h3-7,10-11H,8-9,12H2,1-2H3
InChIKey BYPKZNFDYLKHNY-UHFFFAOYSA-N
Mol Weight 297.35 g/mol
Molecular Formula C18H19NO3
Exact Mass 297.136493 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 3houIzVn5kk
Name N-Methyl-4-benzyloxy-3-methoxyisoquinolin-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 297.136493473 u
Formula C18H19NO3
InChI InChI=1S/C18H19NO3/c1-19-9-8-14-10-16(21-2)17(11-15(14)18(19)20)22-12-13-6-4-3-5-7-13/h3-7,10-11H,8-9,12H2,1-2H3
InChIKey BYPKZNFDYLKHNY-UHFFFAOYSA-N
SMILES C1(C=2C(=CC(=C(C2)OCC2=CC=CC=C2)OC)CCN1C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.873402