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

*Links on SpectraBase are not permalinks.

3-(1,3-benzodioxol-5-yl)-2H-isoquinolin-1-one

View entire compound with spectra: 1 MS (GC)

3-(1,3-benzodioxol-5-yl)-2H-isoquinolin-1-one
SpectraBase Compound ID C42i0w6nW9e
InChI InChI=1S/C16H11NO3/c18-16-12-4-2-1-3-10(12)7-13(17-16)11-5-6-14-15(8-11)20-9-19-14/h1-8H,9H2,(H,17,18)
InChIKey REBBEBMIHXXSMZ-UHFFFAOYSA-N
Mol Weight 265.27 g/mol
Molecular Formula C16H11NO3
Exact Mass 265.073893 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 J71bdBXEa5F
Name 3-(1,3-benzodioxol-5-yl)-2H-isoquinolin-1-one
Alternate Name(s) 3-(1,3-benzodioxol-5-yl)isocarbostyril
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H11NO3
InChI InChI=1S/C16H11NO3/c18-16-12-4-2-1-3-10(12)7-13(17-16)11-5-6-14-15(8-11)20-9-19-14/h1-8H,9H2,(H,17,18)
InChIKey REBBEBMIHXXSMZ-UHFFFAOYSA-N
Molecular Weight 265.268 g/mol
SMILES N1C(=Cc2c(C1=O)cccc2)c1cc2OCOc2cc1
SPLASH splash10-014i-3290000000-95cdb4865df82e210f93
Source of Spectrum K1-0-3900-5
Wiley ID 1589337