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(R)-2-Benzyl-4-(3-propyl-5-hydroxy-1-phenyl-1H-pyrazol-4-yl)-2-methylcyclopent-4-ene-1,3-dione
SpectraBase Compound ID Ft2kOFeiFpW
InChI InChI=1S/C25H24N2O3/c1-3-10-20-22(24(30)27(26-20)18-13-8-5-9-14-18)19-15-21(28)25(2,23(19)29)16-17-11-6-4-7-12-17/h4-9,11-15,30H,3,10,16H2,1-2H3/t25-/m1/s1
InChIKey LCSBWFLTGXRJMT-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 LUSYr0MNAzq
Name (R)-2-Benzyl-4-(3-propyl-5-hydroxy-1-phenyl-1H-pyrazol-4-yl)-2-methylcyclopent-4-ene-1,3-dione
Alternate Name(s) (R)-2-benzyl-4-(5-hydroxy-1-phenyl-3-propyl-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/c1-3-10-20-22(24(30)27(26-20)18-13-8-5-9-14-18)19-15-21(28)25(2,23(19)29)16-17-11-6-4-7-12-17/h4-9,11-15,30H,3,10,16H2,1-2H3/t25-/m1/s1
InChIKey LCSBWFLTGXRJMT-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)CCC)-c1ccccc1
SPLASH splash10-0pb9-4019300000-c427efa4885db564b74e
Source of Spectrum ASC-359-SM17-3k
Wiley ID 1811570