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3-[4-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)phenyl]-6,7-dimethoxy-2-benzofuran-1(3H)-one
SpectraBase Compound ID CNSqsEUFpz6
InChI InChI=1S/C31H26N2O4/c1-35-27-18-17-24-28(30(27)36-2)31(34)37-29(24)22-13-15-23(16-14-22)33-26(21-11-7-4-8-12-21)19-25(32-33)20-9-5-3-6-10-20/h3-18,26,29H,19H2,1-2H3
InChIKey WBJGEVKGLLWMOS-UHFFFAOYSA-N
Mol Weight 490.56 g/mol
Molecular Formula C31H26N2O4
Exact Mass 490.189257 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1QfLuiRlFai
Name 3-[4-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)phenyl]-6,7-dimethoxy-2-benzofuran-1(3H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H26N2O4
InChI InChI=1S/C31H26N2O4/c1-35-27-18-17-24-28(30(27)36-2)31(34)37-29(24)22-13-15-23(16-14-22)33-26(21-11-7-4-8-12-21)19-25(32-33)20-9-5-3-6-10-20/h3-18,26,29H,19H2,1-2H3
InChIKey WBJGEVKGLLWMOS-UHFFFAOYSA-N
Molecular Weight 490.559 g/mol
SMILES c1ccc(C2=NN(C(C2)c2ccccc2)c2ccc(C3c4c(c(OC)c(cc4)OC)C(O3)=O)cc2)cc1
SPLASH splash10-0006-6910500000-5bccf12652871adbac79
Synonyms 3-[4-(3,5-diphenyl-2-pyrazolin-1-yl)phenyl]-6,7-dimethoxy-phthalide 3-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]-6,7-dimethoxy-3H-2-benzofuran-1-one 3-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]-6,7-dimethoxy-3H-isobenzofuran-1-one
Wiley ID 1438025