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2-[4-(5-Nitro-1H-benzimidazol-2-yl)-1-(pyridin-2-yl)-1H-pyrazol-3-yl]phenol
SpectraBase Compound ID 4H2XrxMUxxf
InChI InChI=1S/C21H14N6O3/c28-18-6-2-1-5-14(18)20-15(12-26(25-20)19-7-3-4-10-22-19)21-23-16-9-8-13(27(29)30)11-17(16)24-21/h1-12,28H,(H,23,24)
InChIKey LGLJTZFUNZGEEL-UHFFFAOYSA-N
Mol Weight 398.38 g/mol
Molecular Formula C21H14N6O3
Exact Mass 398.112738 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7FhSNI8MiH1
Name 2-[4-(5-Nitro-1H-benzimidazol-2-yl)-1-(pyridin-2-yl)-1H-pyrazol-3-yl]phenol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H14N6O3
InChI InChI=1S/C21H14N6O3/c28-18-6-2-1-5-14(18)20-15(12-26(25-20)19-7-3-4-10-22-19)21-23-16-9-8-13(27(29)30)11-17(16)24-21/h1-12,28H,(H,23,24)
InChIKey LGLJTZFUNZGEEL-UHFFFAOYSA-N
Instrument Name Finnigan
Ionization Type EI
Literature Reference DOI 10.1002/jhet.1506
Molecular Weight 398.382 g/mol
SMILES [nH]1c(-c2c(-c3c(cccc3)O)n[n](c2)-c2ncccc2)nc2cc([N+](=O)[O-])ccc12
SPLASH splash10-014s-0934000000-e3dacb49ce88ccd98d3e
Source of Spectrum Y-53-1355-6k
Wiley ID 1876584