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(E)-2-(Benzoylamino)-3-[3,5-dimethyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)-1H-pyrazol-4-yl]propenoic acid
SpectraBase Compound ID 1TZX94mXxzl
InChI InChI=1S/C19H16N8O3/c1-11-14(10-15(19(29)30)20-18(28)13-6-4-3-5-7-13)12(2)26(22-11)17-9-8-16-21-24-25-27(16)23-17/h3-10H,1-2H3,(H,20,28)(H,29,30)/b15-10+
InChIKey AHQOBKXPGMLFDI-XNTDXEJSSA-N
Mol Weight 404.39 g/mol
Molecular Formula C19H16N8O3
Exact Mass 404.134536 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8HyoTlX8vDk
Name (E)-2-(Benzoylamino)-3-[3,5-dimethyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)-1H-pyrazol-4-yl]propenoic acid
Comments Less than 3 mono-isotopic peaks
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Formula C19H16N8O3
InChI InChI=1S/C19H16N8O3/c1-11-14(10-15(19(29)30)20-18(28)13-6-4-3-5-7-13)12(2)26(22-11)17-9-8-16-21-24-25-27(16)23-17/h3-10H,1-2H3,(H,20,28)(H,29,30)/b15-10+
InChIKey AHQOBKXPGMLFDI-XNTDXEJSSA-N
Molecular Weight 404.390 g/mol
SMILES N(\C(C(=O)O)=C\c1c([n](C2=N[n]3c(nnn3)C=C2)nc1C)C)C(=O)c1ccccc1
SPLASH splash10-0a4i-0900000000-a54290dbe2103f778cc3
Source of Spectrum F-55-276-4
Synonyms (2E)-2-(benzoylamino)-3-(3,5-dimethyl-1-tetraazolo[1,5-b]pyridazin-6-yl-1H-pyrazol-4-yl)-2-propenoic acid
Wiley ID 836463