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2-[1-(3,5-Diphenylpyrazolyl)]-4-phenoxy-4-phenyl-3-butenoic Acid
SpectraBase Compound ID Aq1nrLUXI26
InChI InChI=1S/C31H24N2O3/c34-31(35)29(22-30(25-17-9-3-10-18-25)36-26-19-11-4-12-20-26)33-28(24-15-7-2-8-16-24)21-27(32-33)23-13-5-1-6-14-23/h1-22,29H,(H,34,35)/b30-22+
InChIKey GHSWEEREEMBYFW-JBASAIQMSA-N
Mol Weight 472.54 g/mol
Molecular Formula C31H24N2O3
Exact Mass 472.178693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H39kLgVNtSq
Name 2-[1-(3,5-Diphenylpyrazolyl)]-4-phenoxy-4-phenyl-3-butenoic Acid
Alternate Name(s) (3E)-2-(3,5-diphenyl-1H-pyrazol-1-yl)-4-phenoxy-4-phenyl-3-butenoic acid
CAS Registry Number 92670-74-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H24N2O3
InChI InChI=1S/C31H24N2O3/c34-31(35)29(22-30(25-17-9-3-10-18-25)36-26-19-11-4-12-20-26)33-28(24-15-7-2-8-16-24)21-27(32-33)23-13-5-1-6-14-23/h1-22,29H,(H,34,35)/b30-22+
InChIKey GHSWEEREEMBYFW-JBASAIQMSA-N
Molecular Weight 472.544 g/mol
SMILES OC(C([n]1nc(-c2ccccc2)cc1-c1ccccc1)\C=C/(Oc1ccccc1)c1ccccc1)=O
SPLASH splash10-000i-0009200000-06c386323d28cf2c6012
Source of Spectrum J-49-4654-0
Wiley ID 1393514