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({7-[(1E)-2-[4-(carbamimidamidosulfonyl)phenyl]diazen-1-yl]-5-nitroquinolin-8-yl}oxy)(nitrooxy)dioxouranium; ethanol
SpectraBase Compound ID JpW911L8dwX
InChI InChI=1S/C16H13N7O5S.C2H6O.NO3.2O.U/c17-16(18)22-29(27,28)10-5-3-9(4-6-10)20-21-12-8-13(23(25)26)11-2-1-7-19-14(11)15(12)24;1-2-3;2-1(3)4;;;/h1-8,24H,(H4,17,18,22);3H,2H2,1H3;;;;/q;;-1;;;+2/p-1/b21-20+;;;;;
InChIKey MQGPNXYXUYMCLB-HFJVKEKRSA-M
Mol Weight 792.48 g/mol
Molecular Formula C18H18N8O11SU
Exact Mass 792.132365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BbvRg9EGNmy
Name ({7-[(1E)-2-[4-(carbamimidamidosulfonyl)phenyl]diazen-1-yl]-5-nitroquinolin-8-yl}oxy)(nitrooxy)dioxouranium; ethanol
Appearance Orange solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18N8O11SU
InChI InChI=1S/C16H13N7O5S.C2H6O.NO3.2O.U/c17-16(18)22-29(27,28)10-5-3-9(4-6-10)20-21-12-8-13(23(25)26)11-2-1-7-19-14(11)15(12)24;1-2-3;2-1(3)4;;;/h1-8,24H,(H4,17,18,22);3H,2H2,1H3;;;;/q;;-1;;;+2/p-1/b21-20+;;;;;
InChIKey MQGPNXYXUYMCLB-HFJVKEKRSA-M
Instrument Name Finnigan MAT 8222
Ionization Type EI
Literature Reference DOI 10.1002/aoc.4855
Molecular Weight 792.476 g/mol
SMILES OCC.N(S(c1ccc(\N=N\c2cc(c3cccnc3c2O[U](O[N+]([O-])=O)(=O)=O)[N+](=O)[O-])cc1)(=O)=O)C(=N)N
SPLASH splash10-004l-0592113500-0a75180403300ef67c50
Source of Spectrum AOC-33-SM1-1
Wiley ID 1838304