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(Z)-2-(Benzoylamino)-3-[3-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)-5-phenyl-1H-pyrazol-4-yl]propenoic acid
SpectraBase Compound ID K2e7wbyWriq
InChI InChI=1S/C24H18N8O3/c1-15-18(14-19(24(34)35)25-23(33)17-10-6-3-7-11-17)22(16-8-4-2-5-9-16)31(27-15)21-13-12-20-26-29-30-32(20)28-21/h2-14H,1H3,(H,25,33)(H,34,35)/b19-14-
InChIKey MXOWXZCDGFWCFV-RGEXLXHISA-N
Mol Weight 466.46 g/mol
Molecular Formula C24H18N8O3
Exact Mass 466.150186 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HTKJctqW4Zy
Name (Z)-2-(Benzoylamino)-3-[3-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)-5-phenyl-1H-pyrazol-4-yl]propenoic acid
Alternate Name(s) (2Z)-2-(benzoylamino)-3-(3-methyl-5-phenyl-1-tetraazolo[1,5-b]pyridazin-6-yl-1H-pyrazol-4-yl)-2-propenoic acid (Z)-2-benzamido-3-[3-methyl-5-phenyl-1-(6-tetrazolo[1,5-b]pyridazinyl)-4-pyrazolyl]-2-propenoic acid (Z)-2-benzamido-3-[3-methyl-5-phenyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)pyrazol-4-yl]prop-2-enoic acid (Z)-2-benzamido-3-[3-methyl-5-phenyl-1-([1,2,3,4]tetrazolo[1,5-b]pyridazin-6-yl)pyrazol-4-yl]prop-2-enoic acid
Comments Less than 3 mono-isotopic peaks
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Formula C24H18N8O3
InChI InChI=1S/C24H18N8O3/c1-15-18(14-19(24(34)35)25-23(33)17-10-6-3-7-11-17)22(16-8-4-2-5-9-16)31(27-15)21-13-12-20-26-29-30-32(20)28-21/h2-14H,1H3,(H,25,33)(H,34,35)/b19-14-
InChIKey MXOWXZCDGFWCFV-RGEXLXHISA-N
Molecular Weight 466.461 g/mol
SMILES N(\C(C(=O)O)=C/c1c([n](C2=N[n]3nnnc3C=C2)nc1C)-c1ccccc1)C(=O)c1ccccc1
SPLASH splash10-0a4i-0900000000-d065635e947be2523bc3
Source of Spectrum K-2002-680-5
Wiley ID 1580940