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(Z)-7-Chloro-2,3-dihydro-3-(1H-1,2,4-triazol-1-yl)-4H-1-benzopyran-4-one O-(2,4-dichlorophenylmethyl)oxime nitrate
SpectraBase Compound ID EXTvq0MNGxj
InChI InChI=1S/C18H13Cl3N4O2.HNO3/c19-12-2-1-11(15(21)5-12)7-27-24-18-14-4-3-13(20)6-17(14)26-8-16(18)25-10-22-9-23-25;2-1(3)4/h1-6,9-10,16H,7-8H2;(H,2,3,4)/b24-18-;
InChIKey RPIKMNUVWSPCGO-XWASNXTISA-N
Mol Weight 486.7 g/mol
Molecular Formula C18H14Cl3N5O5
Exact Mass 485.006052 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IgPd4MJPhHZ
Name (Z)-7-Chloro-2,3-dihydro-3-(1H-1,2,4-triazol-1-yl)-4H-1-benzopyran-4-one O-(2,4-dichlorophenylmethyl)oxime nitrate
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Formula C18H14Cl3N5O5
InChI InChI=1S/C18H13Cl3N4O2.HNO3/c19-12-2-1-11(15(21)5-12)7-27-24-18-14-4-3-13(20)6-17(14)26-8-16(18)25-10-22-9-23-25;2-1(3)4/h1-6,9-10,16H,7-8H2;(H,2,3,4)/b24-18-;
InChIKey RPIKMNUVWSPCGO-XWASNXTISA-N
Molecular Weight 486.699 g/mol
SMILES ON(=O)=O.C1C(\C(c2c(O1)cc(cc2)Cl)=N/OCc1c(cc(cc1)Cl)Cl)[n]1ncnc1
SPLASH splash10-03di-3900000000-6c5dc23f365f433e1383
Source of Spectrum H1-55-2071-13
Synonyms Nitric acid compound with (4Z)-7-chloro-3-(1H-1,2,4-triazol-1-yl)-2,3-dihydro-4H-chromen-4-one O-(2,4-dichlorobenzyl)oxime (1:1)
Wiley ID 1564719