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5-Nitro-2-[3-phenyl-1-(pyridin-2-yl)-1H-pyrazol-4-yl]-1H-benzimidazole
SpectraBase Compound ID KOnUlGvWRgh
InChI InChI=1S/C21H14N6O2/c28-27(29)15-9-10-17-18(12-15)24-21(23-17)16-13-26(19-8-4-5-11-22-19)25-20(16)14-6-2-1-3-7-14/h1-13H,(H,23,24)
InChIKey XLBSOHNRASNKOC-UHFFFAOYSA-N
Mol Weight 382.38 g/mol
Molecular Formula C21H14N6O2
Exact Mass 382.117824 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9K26ZJakuQa
Name 5-Nitro-2-[3-phenyl-1-(pyridin-2-yl)-1H-pyrazol-4-yl]-1H-benzimidazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H14N6O2
InChI InChI=1S/C21H14N6O2/c28-27(29)15-9-10-17-18(12-15)24-21(23-17)16-13-26(19-8-4-5-11-22-19)25-20(16)14-6-2-1-3-7-14/h1-13H,(H,23,24)
InChIKey XLBSOHNRASNKOC-UHFFFAOYSA-N
Instrument Name Finnigan
Ionization Type EI
Literature Reference DOI 10.1002/jhet.1506
Molecular Weight 382.383 g/mol
SMILES [nH]1c(nc2c1ccc(c2)[N+](=O)[O-])-c1c(n[n](c1)-c1ncccc1)-c1ccccc1
SPLASH splash10-03di-0934000000-6e65654ee7aa351e0b84
Source of Spectrum Y-53-1355-6i
Wiley ID 1876582