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2-[6-Methyl-1-oxo-3-phenylisoquinolin-2(1H)-yl]-pyridine-1-oxide
SpectraBase Compound ID 7N01qYjiCh8
InChI InChI=1S/C21H16N2O2/c1-15-10-11-18-17(13-15)14-19(16-7-3-2-4-8-16)23(21(18)24)20-9-5-6-12-22(20)25/h2-14H,1H3
InChIKey BRELEDHQTIGGFH-UHFFFAOYSA-N
Mol Weight 328.37 g/mol
Molecular Formula C21H16N2O2
Exact Mass 328.121178 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bf3Xo7sbwww
Name 2-[6-Methyl-1-oxo-3-phenylisoquinolin-2(1H)-yl]-pyridine-1-oxide
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16N2O2
InChI InChI=1S/C21H16N2O2/c1-15-10-11-18-17(13-15)14-19(16-7-3-2-4-8-16)23(21(18)24)20-9-5-6-12-22(20)25/h2-14H,1H3
InChIKey BRELEDHQTIGGFH-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1002/cssc.202000057
Molecular Weight 328.371 g/mol
Reported Formula C21H16N2O2
SMILES c1cc2c(cc1C)C=C(N(C2=O)c1[n+](cccc1)[O-])c1ccccc1
SPLASH splash10-003r-5932000000-e7b737a38071fe155f36
Source of Spectrum CSC-13-SM11-3ba
Wiley ID 1840058