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(R)-2-Benzyl-4-(1-(2-chlorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl)-2-methylcyclopent-4-ene-1,3-dione
SpectraBase Compound ID 5nheqC7qPAV
InChI InChI=1S/C23H19ClN2O3/c1-14-20(22(29)26(25-14)18-11-7-6-10-17(18)24)16-12-19(27)23(2,21(16)28)13-15-8-4-3-5-9-15/h3-12,29H,13H2,1-2H3/t23-/m1/s1
InChIKey PUWKSTNOZOWINU-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 B2Bq40J0Wg9
Name (R)-2-Benzyl-4-(1-(2-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)18-11-7-6-10-17(18)24)16-12-19(27)23(2,21(16)28)13-15-8-4-3-5-9-15/h3-12,29H,13H2,1-2H3/t23-/m1/s1
InChIKey PUWKSTNOZOWINU-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)-c1ccccc1Cl
SPLASH splash10-0aou-6127900000-93e1109d3371bad66701
Source of Spectrum ASC-359-SM15-3g
Wiley ID 1811566