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(Z)-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 2wTPXgnNCJT
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-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 LLoGe32WD9S
Name (Z)-2,3-Dihydro-3-(1H-1,2,4-triazol-1-yl)-4H-1-benzopyran-4-one O-(2,4-dichlorophenylmethyl)oxime nitrate
Alternate Name(s) Nitric acid compound with (4Z)-3-(1H-1,2,4-triazol-1-yl)-2,3-dihydro-4H-chromen-4-one O-(2,4-dichlorobenzyl)oxime (1:1)
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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-XTMYEIJHSA-N
Molecular Weight 452.254 g/mol
SMILES ON(=O)=O.C1C(\C(c2c(O1)cccc2)=N/OCc1c(cc(cc1)Cl)Cl)[n]1ncnc1
SPLASH splash10-0r2c-9600000000-c56a9fc1e16fbf94f844
Source of Spectrum H1-55-2071-13
Wiley ID 1564721