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(5(4)-Nitroimidazol-4(5)-yl)-methylnitrate
SpectraBase Compound ID CVLPcsAph4S
InChI InChI=1S/C4H4N4O5/c9-7(10)4-3(5-2-6-4)1-13-8(11)12/h2H,1H2,(H,5,6)
InChIKey ULZDUAFXATUPCS-UHFFFAOYSA-N
Mol Weight 188.1 g/mol
Molecular Formula C4H4N4O5
Exact Mass 188.018169 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LlxlzWEKJaI
Name (5(4)-Nitroimidazol-4(5)-yl)methyl nitrate
CAS Registry Number 81246-36-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C4H4N4O5
InChI InChI=1S/C4H4N4O5/c9-7(10)4-3(5-2-6-4)1-13-8(11)12/h2H,1H2,(H,5,6)
InChIKey ULZDUAFXATUPCS-UHFFFAOYSA-N
Molecular Weight 188.099 g/mol
SMILES [nH]1cnc(c1N(=O)=O)CON(=O)=O
SPLASH splash10-0002-9300000000-b325eb7b60934fab6b83
Source of Spectrum J-47-2662-0
Synonyms (5-nitro-1H-imidazol-4-yl)methyl nitrate (4-nitro-1H-imidazol-5-yl)methyl nitrate
Wiley ID 1184104