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2-(2-(4-(5-(4-Nitrophenyl)-3-oxo-2,3-dihydropyrazol-1-yl)-benzoyl)hydrazinyl)-2-oxoethylnitrate
SpectraBase Compound ID 3X9TD2cbRGX
InChI InChI=1S/C18H14N6O8/c25-16-9-15(11-1-7-14(8-2-11)23(28)29)22(21-16)13-5-3-12(4-6-13)18(27)20-19-17(26)10-32-24(30)31/h1-9H,10H2,(H,19,26)(H,20,27)(H,21,25)
InChIKey XFXVNFRJQBUAQB-UHFFFAOYSA-N
Mol Weight 442.34 g/mol
Molecular Formula C18H14N6O8
Exact Mass 442.087311 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BpddmaEC6NF
Name 2-(2-(4-(5-(4-Nitrophenyl)-3-oxo-2,3-dihydropyrazol-1-yl)-benzoyl)hydrazinyl)-2-oxoethylnitrate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H14N6O8
InChI InChI=1S/C18H14N6O8/c25-16-9-15(11-1-7-14(8-2-11)23(28)29)22(21-16)13-5-3-12(4-6-13)18(27)20-19-17(26)10-32-24(30)31/h1-9H,10H2,(H,19,26)(H,20,27)(H,21,25)
InChIKey XFXVNFRJQBUAQB-UHFFFAOYSA-N
Molecular Weight 442.344 g/mol
SMILES N1C(C=C(N1c1ccc(C(NNC(CON(=O)=O)=O)=O)cc1)c1ccc(N(=O)=O)cc1)=O
SPLASH splash10-0006-0000900000-b803de12ce588808d22e
Source of Spectrum F2-44-4633-7a
Synonyms nitric acid [2-[[[4-[3-(4-nitrophenyl)-5-oxo-1H-pyrazol-2-yl]phenyl]-oxomethyl]hydrazo]-2-oxoethyl] ester [2-[2-[4-[3-(4-nitrophenyl)-5-oxo-1H-pyrazol-2-yl]benzoyl]hydrazinyl]-2-oxoethyl] nitrate [2-[2-[4-[3-(4-nitrophenyl)-5-oxo-1H-pyrazol-2-yl]benzoyl]hydrazino]-2-oxo-ethyl] nitrate [2-[2-[4-[3-(4-nitrophenyl)-5-oxidanylidene-1H-pyrazol-2-yl]phenyl]carbonylhydrazinyl]-2-oxidanylidene-ethyl] nitrate
Wiley ID 1705822