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(Z)-(chlorocuprio N-[(2E)-1-{N'-[(E)-(2-nitrophenyl)methylidene]hydrazinecarbonyl}propan-2-ylidene]pyridine-4-carbohydrazonate) dihydrate
SpectraBase Compound ID LR2L2hEv5uK
InChI InChI=1S/C17H16N6O4.ClH.Cu.2O/c1-12(20-22-17(25)13-6-8-18-9-7-13)10-16(24)21-19-11-14-4-2-3-5-15(14)23(26)27;;;;/h2-9,11H,10H2,1H3,(H,21,24)(H,22,25);1H;;;/q;;+2;;/p-2/b19-11+,20-12+;;;;
InChIKey QKLMYDGJRQCOFY-WCLOSASOSA-L
Mol Weight 498.342 g/mol
Molecular Formula C17H15ClCuN6O6
Exact Mass 497.003757 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1iUI0Xel84
Name (Z)-(chlorocuprio N-[(2E)-1-{N'-[(E)-(2-nitrophenyl)methylidene]hydrazinecarbonyl}propan-2-ylidene]pyridine-4-carbohydrazonate) dihydrate
Appearance Brown solid
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Formula C17H19ClCuN6O6
InChI InChI=1S/C17H16N6O4.ClH.Cu.2O/c1-12(20-22-17(25)13-6-8-18-9-7-13)10-16(24)21-19-11-14-4-2-3-5-15(14)23(26)27;;;;/h2-9,11H,10H2,1H3,(H,21,24)(H,22,25);1H;;;/q;;+2;;/p-2/b19-11+,20-12+;;;;
InChIKey QKLMYDGJRQCOFY-WCLOSASOSA-L
Instrument Name Shimadzu GCMS-Q1000-EX or GCMS 5988-A HP
Ionization Type EI
Literature Reference DOI 10.1002/aoc.6205
Molecular Weight 502.374 g/mol
SMILES N(C(C\C(=N\N=C\(c1ccncc1)O[Cu]Cl)C)=O)\N=C\c1c([N+](=O)[O-])cccc1.O.O
SPLASH splash10-0fb9-9300000000-7ecf114f3e88ff2a9e82
Source of Spectrum AOC-35-SM7-4
Wiley ID 1866459