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(E)-2-(Benzoylamino)-3-[3,5-dimethyl-1-(3-phenyl-1,2,4-triazolo[4,3-b]pyridazin-6-yl)-1H-pyrazol-4-yl]propenoic acid
SpectraBase Compound ID G683W2RaC9y
InChI InChI=1S/C26H21N7O3/c1-16-20(15-21(26(35)36)27-25(34)19-11-7-4-8-12-19)17(2)32(30-16)23-14-13-22-28-29-24(33(22)31-23)18-9-5-3-6-10-18/h3-15H,1-2H3,(H,27,34)(H,35,36)/b21-15+
InChIKey HHYKCJDZMJLMPU-RCCKNPSSSA-N
Mol Weight 479.5 g/mol
Molecular Formula C26H21N7O3
Exact Mass 479.170588 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G5WzEWcByxb
Name (E)-2-(Benzoylamino)-3-[3,5-dimethyl-1-(3-phenyl-1,2,4-triazolo[4,3-b]pyridazin-6-yl)-1H-pyrazol-4-yl]propenoic acid
Comments Less than 3 mono-isotopic peaks
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Formula C26H21N7O3
InChI InChI=1S/C26H21N7O3/c1-16-20(15-21(26(35)36)27-25(34)19-11-7-4-8-12-19)17(2)32(30-16)23-14-13-22-28-29-24(33(22)31-23)18-9-5-3-6-10-18/h3-15H,1-2H3,(H,27,34)(H,35,36)/b21-15+
InChIKey HHYKCJDZMJLMPU-RCCKNPSSSA-N
Molecular Weight 479.500 g/mol
SMILES N(\C(C(=O)O)=C\c1c([n](C2=N[n]3c(nnc3C=C2)-c2ccccc2)nc1C)C)C(=O)c1ccccc1
SPLASH splash10-0a4i-0900000000-613045902bab3db8218f
Source of Spectrum F-55-276-4
Synonyms (2E)-2-(benzoylamino)-3-[3,5-dimethyl-1-(3-phenyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1H-pyrazol-4-yl]-2-propenoic acid
Wiley ID 836464