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

*Links on SpectraBase are not permalinks.
4-Benzyl-6-bromo-2-methoxyisoquinolin-1(2H)-one
SpectraBase Compound ID 1UUYM17X3wE
InChI InChI=1S/C17H14BrNO2/c1-21-19-11-13(9-12-5-3-2-4-6-12)16-10-14(18)7-8-15(16)17(19)20/h2-8,10-11H,9H2,1H3
InChIKey BRGFNAQIEVSYLW-UHFFFAOYSA-N
Mol Weight 344.21 g/mol
Molecular Formula C17H14BrNO2
Exact Mass 343.020792 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 57tEKjkxHM
Name 4-Benzyl-6-bromo-2-methoxyisoquinolin-1(2H)-one
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 343.020791693 u
Formula C17H14BrNO2
InChI InChI=1S/C17H14BrNO2/c1-21-19-11-13(9-12-5-3-2-4-6-12)16-10-14(18)7-8-15(16)17(19)20/h2-8,10-11H,9H2,1H3
InChIKey BRGFNAQIEVSYLW-UHFFFAOYSA-N
Instrument Name Finnigan SSQ Finnigan 7000
Ionization Type EI
Literature Reference DOI 10.1002/anie.201710776
Molecular Weight 344.208 g/mol
Quality 187
Reported Formula C17H14Br(79)NO2
SMILES C1(=CC=CC=C1)CC1=CN(C(C2=C1C=C(C=C2)Br)=O)OC
SPLASH splash10-0007-0109000000-116950b0d25ed7a1507a
Source of Spectrum ACI-56-SM31-3fa (DOI: 10.1002/anie.201710776)
Thin-Layer Chromatography 0.3 (pentane/EtOAc, 2:1)
Wiley ID 1896658