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(E)-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 AzKEQ4u0n5h
InChI InChI=1S/C18H14Cl2N4O2.HNO3/c19-13-6-5-12(15(20)7-13)8-26-23-18-14-3-1-2-4-17(14)25-9-16(18)24-11-21-10-22-24;2-1(3)4/h1-7,10-11,16H,8-9H2;(H,2,3,4)/b23-18+;
InChIKey FJNIQZZUDNNHMZ-XHMOQMQQSA-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 DVu2jjBgqVQ
Name (E)-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 C18H15Cl2N5O5
InChI InChI=1S/C18H14Cl2N4O2.HNO3/c19-13-6-5-12(15(20)7-13)8-26-23-18-14-3-1-2-4-17(14)25-9-16(18)24-11-21-10-22-24;2-1(3)4/h1-7,10-11,16H,8-9H2;(H,2,3,4)/b23-18+;
InChIKey FJNIQZZUDNNHMZ-XHMOQMQQSA-N
Molecular Weight 452.254 g/mol
SMILES ON(=O)=O.C1(\C(c2c(OC1)cccc2)=N\OCc1c(cc(cc1)Cl)Cl)[n]1ncnc1
SPLASH splash10-0bt9-0920000000-14e23e3ef1f6168c8f84
Source of Spectrum H1-55-2072-13
Synonyms Nitric acid compound with (4E)-3-(1H-1,2,4-triazol-1-yl)-2,3-dihydro-4H-chromen-4-one O-(2,4-dichlorobenzyl)oxime (1:1)
Wiley ID 1564713