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(nitrooxy)cuprio nitrate; [(E)-[1-(8-methoxy-2-oxo-2H-chromen-3-yl)ethylidene]amino]urea
SpectraBase Compound ID CDkqN4RVlLz
InChI InChI=1S/C13H13N3O4.Cu.2NO3/c1-7(15-16-13(14)18)9-6-8-4-3-5-10(19-2)11(8)20-12(9)17;;2*2-1(3)4/h3-6H,1-2H3,(H3,14,16,18);;;/q;+2;2*-1/b15-7+;;;
InChIKey RXPKHMCJJCPILZ-HFUUWOKWSA-N
Mol Weight 462.82 g/mol
Molecular Formula C13H13CuN5O10
Exact Mass 461.995839 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4pVSRSur9hT
Name (nitrooxy)cuprio nitrate; [(E)-[1-(8-methoxy-2-oxo-2H-chromen-3-yl)ethylidene]amino]urea
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13CuN5O10
InChI InChI=1S/C13H13N3O4.Cu.2NO3/c1-7(15-16-13(14)18)9-6-8-4-3-5-10(19-2)11(8)20-12(9)17;;2*2-1(3)4/h3-6H,1-2H3,(H3,14,16,18);;;/q;+2;2*-1/b15-7+;;;
InChIKey RXPKHMCJJCPILZ-HFUUWOKWSA-N
Instrument Name Q-Tof micromass
Ionization Type EI
Literature Reference DOI 10.1002/ejic.202100039
Molecular Weight 462.818 g/mol
SMILES N(\N=C\(C1=Cc2cccc(c2OC1=O)OC)C)C(N)=O.O([Cu]O[N+]([O-])=O)[N+](=O)[O-]
SPLASH splash10-05mo-9100000000-4d2484db27df3c3f0624
Source of Spectrum U2-2021-SM9-3
Wiley ID 1854356