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2-Benzyl-5-nitroisoquinolin-1(2H)-one
SpectraBase Compound ID 4sADJZ53uav
InChI InChI=1S/C16H12N2O3/c19-16-14-7-4-8-15(18(20)21)13(14)9-10-17(16)11-12-5-2-1-3-6-12/h1-10H,11H2
InChIKey DQWFDDBRTLKKJJ-UHFFFAOYSA-N
Mol Weight 280.28 g/mol
Molecular Formula C16H12N2O3
Exact Mass 280.084792 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LgI1i0b1lqe
Name 2-Benzyl-5-nitroisoquinolin-1(2H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12N2O3
InChI InChI=1S/C16H12N2O3/c19-16-14-7-4-8-15(18(20)21)13(14)9-10-17(16)11-12-5-2-1-3-6-12/h1-10H,11H2
InChIKey DQWFDDBRTLKKJJ-UHFFFAOYSA-N
Literature Reference DOI 10.1021/acs.orglett.6b00646
Molecular Weight 280.283 g/mol
SMILES C1(N(C=Cc2c(cccc12)[N+](=O)[O-])Cc1ccccc1)=O
SPLASH splash10-0006-9150000000-6caaec12e834d6d76ddf
Source of Spectrum A1-18-2036/SM13-5g
Wiley ID 1805356