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(R)-2-Benzyl-4-(1-(4-chlorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl)-2-methylcyclopent-4-ene-1,3-dione
SpectraBase Compound ID BjM7gDnImIM
InChI InChI=1S/C23H19ClN2O3/c1-14-20(22(29)26(25-14)17-10-8-16(24)9-11-17)18-12-19(27)23(2,21(18)28)13-15-6-4-3-5-7-15/h3-12,29H,13H2,1-2H3/t23-/m1/s1
InChIKey ZZFBWZUTBHWWLD-HSZRJFAPSA-N
Mol Weight 406.87 g/mol
Molecular Formula C23H19ClN2O3
Exact Mass 406.10842 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H8rqHB7tgH6
Name (R)-2-Benzyl-4-(1-(4-chlorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl)-2-methylcyclopent-4-ene-1,3-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H19ClN2O3
InChI InChI=1S/C23H19ClN2O3/c1-14-20(22(29)26(25-14)17-10-8-16(24)9-11-17)18-12-19(27)23(2,21(18)28)13-15-6-4-3-5-7-15/h3-12,29H,13H2,1-2H3/t23-/m1/s1
InChIKey ZZFBWZUTBHWWLD-HSZRJFAPSA-N
Literature Reference DOI 10.1002/adsc.201700917
Molecular Weight 406.869 g/mol
SMILES Oc1[n](nc(c1C1=CC([C@@](Cc2ccccc2)(C1=O)C)=O)C)-c1ccc(cc1)Cl
SPLASH splash10-0aou-4005900000-45640c32f973a9d553c6
Source of Spectrum ASC-359-SM18-3m
Wiley ID 1811572