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(Z)-2,3-Dihydro-3-(4H-1,2,4-triazol-4-yl)-4H-1-benzopyran-4-one O-(2,6-dichlorophenylmethyl)oxime nitrate
SpectraBase Compound ID 4PZg8z62JOB
InChI InChI=1S/C18H14Cl2N4O2.HNO3/c19-14-5-3-6-15(20)13(14)8-26-23-18-12-4-1-2-7-17(12)25-9-16(18)24-10-21-22-11-24;2-1(3)4/h1-7,10-11,16H,8-9H2;(H,2,3,4)/b23-18-;
InChIKey LAOWKMRERRDYIR-XTMYEIJHSA-N
Mol Weight 452.25 g/mol
Molecular Formula C18H15Cl2N5O5
Exact Mass 451.045024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8k8rVw8vKd4
Name (Z)-2,3-Dihydro-3-(4H-1,2,4-triazol-4-yl)-4H-1-benzopyran-4-one O-(2,6-dichlorophenylmethyl)oxime nitrate
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Formula C18H15Cl2N5O5
InChI InChI=1S/C18H14Cl2N4O2.HNO3/c19-14-5-3-6-15(20)13(14)8-26-23-18-12-4-1-2-7-17(12)25-9-16(18)24-10-21-22-11-24;2-1(3)4/h1-7,10-11,16H,8-9H2;(H,2,3,4)/b23-18-;
InChIKey LAOWKMRERRDYIR-XTMYEIJHSA-N
Molecular Weight 452.254 g/mol
SMILES ON(=O)=O.C1C(\C(c2c(O1)cccc2)=N/OCc1c(cccc1Cl)Cl)[n]1cnnc1
SPLASH splash10-03g0-2958000000-61c8cb0cd7bb7e6b5f55
Source of Spectrum H1-55-2072-17
Synonyms Nitric acid compound with (4Z)-3-(4H-1,2,4-triazol-4-yl)-2,3-dihydro-4H-chromen-4-one O-(2,6-dichlorobenzyl)oxime (1:1)
Wiley ID 1564717