Debug Info

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65rRMybkaKG
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65rRMybkaKG
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2-(4-Nitrophenyl)-2H-benzo[4,5]imidazo[1,2-a][1,2,3]triazolo-[4,5-e]pyrimidine
SpectraBase Compound ID LZESzTEfMpM
InChI InChI=1S/C16H9N7O2/c24-23(25)11-7-5-10(6-8-11)22-19-13-9-17-16-18-12-3-1-2-4-14(12)21(16)15(13)20-22/h1-9H
InChIKey KAIHZZHUTIESGO-UHFFFAOYSA-N
Mol Weight 331.3 g/mol
Molecular Formula C16H9N7O2
Exact Mass 331.081773 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 65rRMybkaKG
Name 2-(4-Nitrophenyl)-2H-benzo[4,5]imidazo[1,2-a][1,2,3]triazolo-[4,5-e]pyrimidine
Appearance Yellow powder
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H9N7O2
InChI InChI=1S/C16H9N7O2/c24-23(25)11-7-5-10(6-8-11)22-19-13-9-17-16-18-12-3-1-2-4-14(12)21(16)15(13)20-22/h1-9H
InChIKey KAIHZZHUTIESGO-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP 2010 Ultra
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.1c00760
Molecular Weight 331.295 g/mol
SMILES c1(-[n]2nc-3c(C=Nc4[n]3c3c(n4)cccc3)n2)ccc(cc1)[N+]([O-])=O
SPLASH splash10-001i-9538000000-011d155bc9d37b39f2ff
Source of Spectrum JOC-86-SM41-8e
Thin-Layer Chromatography Rf = 0.4 (CHCl3)
Wiley ID 1867789
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