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(R)-2-Benzyl-4-(3-isopropyl-5-hydroxy-1-phenyl-1H-pyrazol-4-yl)-2-methylcyclopent-4-ene-1,3-dione
SpectraBase Compound ID EsA62IBAxzn
InChI InChI=1S/C25H24N2O3/c1-16(2)22-21(24(30)27(26-22)18-12-8-5-9-13-18)19-14-20(28)25(3,23(19)29)15-17-10-6-4-7-11-17/h4-14,16,30H,15H2,1-3H3/t25-/m1/s1
InChIKey FZJDGCNWOKBZRR-RUZDIDTESA-N
Mol Weight 400.48 g/mol
Molecular Formula C25H24N2O3
Exact Mass 400.178693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DqIxVFeUQNl
Name (R)-2-Benzyl-4-(3-isopropyl-5-hydroxy-1-phenyl-1H-pyrazol-4-yl)-2-methylcyclopent-4-ene-1,3-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H24N2O3
InChI InChI=1S/C25H24N2O3/c1-16(2)22-21(24(30)27(26-22)18-12-8-5-9-13-18)19-14-20(28)25(3,23(19)29)15-17-10-6-4-7-11-17/h4-14,16,30H,15H2,1-3H3/t25-/m1/s1
InChIKey FZJDGCNWOKBZRR-RUZDIDTESA-N
Literature Reference DOI 10.1002/adsc.201700917
Molecular Weight 400.478 g/mol
SMILES Oc1[n](nc(c1C1=CC([C@@](Cc2ccccc2)(C1=O)C)=O)C(C)C)-c1ccccc1
SPLASH splash10-0006-9001100000-bf08ee00532f666f173f
Source of Spectrum ASC-359-SM17-3l
Synonyms (R)-2-benzyl-4-(5-hydroxy-3-isopropyl-1-phenyl-1H-pyrazol-4-yl)-2-methylcyclopent-4-ene-1,3-dione
Wiley ID 1811571