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(Z)-2,3-Dihydro-3-(1H-1,2,4-triazol-1-yl)-4H-1-benzopyran-4-one O-(4-chlorophenylmethyl)oxime nitrate
SpectraBase Compound ID 2NhRLvtjfwp
InChI InChI=1S/C18H15ClN4O2.HNO3/c19-14-7-5-13(6-8-14)9-25-22-18-15-3-1-2-4-17(15)24-10-16(18)23-12-20-11-21-23;2-1(3)4/h1-8,11-12,16H,9-10H2;(H,2,3,4)/b22-18-;
InChIKey YTLCAYABYKIZRX-QNCGTCMPSA-N
Mol Weight 417.81 g/mol
Molecular Formula C18H16ClN5O5
Exact Mass 417.083996 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2uVMCDi280v
Name (Z)-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 C18H16ClN5O5
InChI InChI=1S/C18H15ClN4O2.HNO3/c19-14-7-5-13(6-8-14)9-25-22-18-15-3-1-2-4-17(15)24-10-16(18)23-12-20-11-21-23;2-1(3)4/h1-8,11-12,16H,9-10H2;(H,2,3,4)/b22-18-;
InChIKey YTLCAYABYKIZRX-QNCGTCMPSA-N
Molecular Weight 417.809 g/mol
SMILES ON(=O)=O.C1C(\C(c2c(O1)cccc2)=N/OCc1ccc(cc1)Cl)[n]1ncnc1
SPLASH splash10-004i-2900000000-6af9af1ac59b37cc2399
Source of Spectrum H1-55-2071-13
Synonyms Nitric acid compound with (4Z)-3-(1H-1,2,4-triazol-1-yl)-2,3-dihydro-4H-chromen-4-one O-(4-chlorobenzyl)oxime (1:1)
Wiley ID 1564722