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(Z)-3,4,5-Trimethyl-.alpha.-(2-phenoxy-2-phenylethenyl)-1H-pyrazole-1-acetic acid
SpectraBase Compound ID 2gNDKyezte1
InChI InChI=1S/C22H22N2O3/c1-15-16(2)23-24(17(15)3)20(22(25)26)14-21(18-10-6-4-7-11-18)27-19-12-8-5-9-13-19/h4-14,20H,1-3H3,(H,25,26)/b21-14-
InChIKey XWVNIOFOCMJFOO-STZFKDTASA-N
Mol Weight 362.43 g/mol
Molecular Formula C22H22N2O3
Exact Mass 362.163043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JSZtMruauBh
Name (Z)-3,4,5-Trimethyl-.alpha.-(2-phenoxy-2-phenylethenyl)-1H-pyrazole-1-acetic acid
CAS Registry Number 92670-77-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22N2O3
InChI InChI=1S/C22H22N2O3/c1-15-16(2)23-24(17(15)3)20(22(25)26)14-21(18-10-6-4-7-11-18)27-19-12-8-5-9-13-19/h4-14,20H,1-3H3,(H,25,26)/b21-14-
InChIKey XWVNIOFOCMJFOO-STZFKDTASA-N
Molecular Weight 362.429 g/mol
SMILES OC(C([n]1nc(C)c(c1C)C)\C=C\(Oc1ccccc1)c1ccccc1)=O
SPLASH splash10-014i-0096000000-61123f5712f4376b5921
Source of Spectrum J-49-4655-0
Synonyms (3Z)-4-phenoxy-4-phenyl-2-(3,4,5-trimethyl-1H-pyrazol-1-yl)-3-butenoic acid
Wiley ID 1349795