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5-Hydroxy-3-(4"-chlorophenethyl)-1-phenyl-4-(3'-methyl-1'-phenylpyrazol-5'-yl)pyrazole
SpectraBase Compound ID G4vOVz7OJSe
InChI InChI=1S/C27H23ClN4O/c1-19-18-25(31(29-19)22-8-4-2-5-9-22)26-24(17-14-20-12-15-21(28)16-13-20)30-32(27(26)33)23-10-6-3-7-11-23/h2-13,15-16,18,33H,14,17H2,1H3
InChIKey RPYQMWSAQQYFBC-UHFFFAOYSA-N
Mol Weight 454.96 g/mol
Molecular Formula C27H23ClN4O
Exact Mass 454.156039 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BqH8Ss9bEY1
Name 5-Hydroxy-3-(4"-chlorophenethyl)-1-phenyl-4-(3'-methyl-1'-phenylpyrazol-5'-yl)pyrazole
Alternate Name(s) 3-[2-(4-chlorophenyl)ethyl]-4-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-1-phenyl-1H-pyrazol-5-ol 5-Hydroxy-3-(4''-chlorophenethyl)-1-phenyl-4-(3'-methyl-1'-phenylpyrazol-5'-yl)pyrazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H23ClN4O
InChI InChI=1S/C27H23ClN4O/c1-19-18-25(31(29-19)22-8-4-2-5-9-22)26-24(17-14-20-12-15-21(28)16-13-20)30-32(27(26)33)23-10-6-3-7-11-23/h2-13,15-16,18,33H,14,17H2,1H3
InChIKey RPYQMWSAQQYFBC-UHFFFAOYSA-N
Molecular Weight 454.961 g/mol
SMILES Oc1c(-c2[n](nc(c2)C)-c2ccccc2)c(n[n]1-c1ccccc1)CCc1ccc(cc1)Cl
SPLASH splash10-004i-9200000000-5849406e2e62aa3258ec
Source of Spectrum SK-21-1199-6
Wiley ID 851861