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(Z)-7-Chloro-2,3-dihydro-3-(1H-1,2,4-triazol-1-yl)-4H-1-benzopyran-4-one O-(4-chlorophenylmethyl)oxime nitrate
SpectraBase Compound ID IkwAYmSnmsA
InChI InChI=1S/C18H14Cl2N4O2.HNO3/c19-13-3-1-12(2-4-13)8-26-23-18-15-6-5-14(20)7-17(15)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 KPPBLRRNAYSFKA-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 MsPsyK7vVd
Name (Z)-7-Chloro-2,3-dihydro-3-(1H-1,2,4-triazol-1-yl)-4H-1-benzopyran-4-one O-(4-chlorophenylmethyl)oxime nitrate
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Formula C18H15Cl2N5O5
InChI InChI=1S/C18H14Cl2N4O2.HNO3/c19-13-3-1-12(2-4-13)8-26-23-18-15-6-5-14(20)7-17(15)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 KPPBLRRNAYSFKA-XTMYEIJHSA-N
Molecular Weight 452.254 g/mol
SMILES ON(=O)=O.C1C(\C(c2c(O1)cc(cc2)Cl)=N/OCc1ccc(cc1)Cl)[n]1ncnc1
SPLASH splash10-004j-9700000000-dae9e6a3a946a10e4917
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-(4-chlorobenzyl)oxime (1:1)
Wiley ID 1564720