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5-Nitrobenzimidazole nitrate

View entire compound with spectra: 5 NMR, 4 FTIR, 1 Raman, and 2 UV-Vis

5-Nitrobenzimidazole nitrate
SpectraBase Compound ID JX9EmqkFElc
InChI InChI=1S/C7H5N3O2.HNO3/c11-10(12)5-1-2-6-7(3-5)9-4-8-6;2-1(3)4/h1-4H,(H,8,9);(H,2,3,4)
InChIKey ZUZQXHSOEZUAIS-UHFFFAOYSA-N
Mol Weight 226.148 g/mol
Molecular Formula C7H6N4O5
Exact Mass 226.033819 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CONxz644x2G
Name 5-NITROBENZIMIDAZOLE, MONONITRATE
Source of Sample Fluka AG, Buchs, Switzerland
CAS Registry Number 27896-84-0
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H5N3O2 HNO3
InChI InChI=1S/C7H5N3O2.HNO3/c11-10(12)5-1-2-6-7(3-5)9-4-8-6;2-1(3)4/h1-4H,(H,8,9);(H,2,3,4)
InChIKey ZUZQXHSOEZUAIS-UHFFFAOYSA-N
Melting Point 218-220C
Molecular Weight 226.15
Solvent Dimethyl sulfoxide-d6; Reference=TMS Spectrometer= Bruker AC-300
Synonyms BENZIMIDAZOLE, 5-NITRO-, NITRATE