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

*Links on SpectraBase are not permalinks.
1-Benzyl-2H-isoquinolin-3-one
SpectraBase Compound ID AZg75S0fbUL
InChI InChI=1S/C16H13NO/c18-16-11-13-8-4-5-9-14(13)15(17-16)10-12-6-2-1-3-7-12/h1-9,11H,10H2,(H,17,18)
InChIKey WCMFACNEOHORRK-UHFFFAOYSA-N
Mol Weight 235.29 g/mol
Molecular Formula C16H13NO
Exact Mass 235.099714 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 9BzENI0LeuI
Name 1-Benzyl-2H-isoquinolin-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13NO
InChI InChI=1S/C16H13NO/c18-16-11-13-8-4-5-9-14(13)15(17-16)10-12-6-2-1-3-7-12/h1-9,11H,10H2,(H,17,18)
InChIKey WCMFACNEOHORRK-UHFFFAOYSA-N
Molecular Weight 235.286 g/mol
SMILES N1C(C=C2C(=C1Cc1ccccc1)C=CC=C2)=O
SPLASH splash10-0019-0090000000-308746d7609254f31f53
Source of Spectrum AJ-41-981-2
Synonyms 1-(Phenylmethyl)-2H-isoquinolin-3-one 1-Benzyl-3-isoquinolone
Wiley ID 1567719