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6-Bromo-3,4-diphenyl-2-(pyridin-2-yl) isoquinolin-1(2H)-one
SpectraBase Compound ID AN5RGtEWve5
InChI InChI=1S/C26H17BrN2O/c27-20-14-15-21-22(17-20)24(18-9-3-1-4-10-18)25(19-11-5-2-6-12-19)29(26(21)30)23-13-7-8-16-28-23/h1-17H
InChIKey HEWYAJHMSNUXNO-UHFFFAOYSA-N
Mol Weight 453.34 g/mol
Molecular Formula C26H17BrN2O
Exact Mass 452.052426 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CrNCsd3CSkx
Name 6-Bromo-3,4-diphenyl-2-(pyridin-2-yl) isoquinolin-1(2H)-one
Appearance Colorless solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 452.052426174 u
Formula C26H17BrN2O
InChI InChI=1S/C26H17BrN2O/c27-20-14-15-21-22(17-20)24(18-9-3-1-4-10-18)25(19-11-5-2-6-12-19)29(26(21)30)23-13-7-8-16-28-23/h1-17H
InChIKey HEWYAJHMSNUXNO-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1002/chem.201601101
Molecular Weight 453.339 g/mol
Quality 266
Reported Formula C26H17(79)BrN2O
SMILES C1(N2C(=C(C=3C(C2=O)=CC=C(C3)Br)C2=CC=CC=C2)C=2C=CC=CC2)=CC=CC=N1
SPLASH splash10-0udl-3000900000-2ae654ff258c2ff0adf7
Source of Spectrum QE-22-SM18-5da' (DOI: 10.1002/chem.201601101)
Wiley ID 1903320