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(E)-2-(Benzoylamino)-3-[1-(6-chloro-3-pyridazin-6-yl)-3,5-dimethyl-1H-pyrazol-4-yl]propenoic acid
SpectraBase Compound ID 1SeIQ1tNZls
InChI InChI=1S/C19H16ClN5O3/c1-11(22-24-17-9-8-16(20)23-25-17)14-10-15(19(27)28-12(14)2)21-18(26)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,21,26)(H,24,25)/b22-11+
InChIKey WYBIFUAFNILUTG-SSDVNMTOSA-N
Mol Weight 397.82 g/mol
Molecular Formula C19H16ClN5O3
Exact Mass 397.094167 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AUDlND2MD7e
Name (E)-2-(Benzoylamino)-3-[1-(6-chloro-3-pyridazin-6-yl)-3,5-dimethyl-1H-pyrazol-4-yl]propenoic acid
Comments Less than 3 mono-isotopic peaks
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Formula C19H16ClN5O3
InChI InChI=1S/C19H16ClN5O3/c1-11(22-24-17-9-8-16(20)23-25-17)14-10-15(19(27)28-12(14)2)21-18(26)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,21,26)(H,24,25)/b22-11+
InChIKey WYBIFUAFNILUTG-SSDVNMTOSA-N
Molecular Weight 397.822 g/mol
SMILES N(C1=CC(\C(=N\Nc2nnc(cc2)Cl)C)=C(OC1=O)C)C(=O)c1ccccc1
SPLASH splash10-0a4i-0900000000-58238cbb58d814b6126b
Source of Spectrum O1-61-110-3
Synonyms N-(5-{1-[(6-Chloropyridazin-3-yl)hydrazono]ethyl}-6-methyl-2-oxo-2H-pyran-3-yl)benzamide N-{5-[(1E)-N-(6-chloro-3-pyridazinyl)ethanehydrazonoyl]-6-methyl-2-oxo-2H-pyran-3-yl}benzamide
Wiley ID 1592336