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(E)-2-benzamido-3-(1-tert-butyl-3-methyl-5-phenyl-4-pyrazolyl)-2-propenoic acid
SpectraBase Compound ID KxLrM96iUrx
InChI InChI=1S/C24H25N3O3/c1-16-19(15-20(23(29)30)25-22(28)18-13-9-6-10-14-18)21(17-11-7-5-8-12-17)27(26-16)24(2,3)4/h5-15H,1-4H3,(H,25,28)(H,29,30)/b20-15+
InChIKey JDWGADHSMGGUMN-HMMYKYKNSA-N
Mol Weight 403.48 g/mol
Molecular Formula C24H25N3O3
Exact Mass 403.189592 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GVe3c6s10m
Name (E)-2-benzamido-3-(1-tert-butyl-3-methyl-5-phenyl-4-pyrazolyl)-2-propenoic acid
Comments Less than 3 mono-isotopic peaks
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Formula C24H25N3O3
InChI InChI=1S/C24H25N3O3/c1-16-19(15-20(23(29)30)25-22(28)18-13-9-6-10-14-18)21(17-11-7-5-8-12-17)27(26-16)24(2,3)4/h5-15H,1-4H3,(H,25,28)(H,29,30)/b20-15+
InChIKey JDWGADHSMGGUMN-HMMYKYKNSA-N
Molecular Weight 403.482 g/mol
SMILES N(\C(C(=O)O)=C\c1c([n](nc1C)C(C)(C)C)-c1ccccc1)C(=O)c1ccccc1
SPLASH splash10-0a4i-0900300000-ced0321ae191183ebfd7
Source of Spectrum K-2002-679-5
Synonyms (E)-2-benzamido-3-(1-tert-butyl-3-methyl-5-phenyl-pyrazol-4-yl)acrylic acid (E)-2-benzamido-3-(1-tert-butyl-3-methyl-5-phenyl-pyrazol-4-yl)prop-2-enoic acid
Wiley ID 1580953