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(R)-2-(4-Bromobenzyl)-4-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)-2-methylcyclopent-4-ene-1,3-dione
SpectraBase Compound ID C2g9mHGXubP
InChI InChI=1S/C23H19BrN2O3/c1-14-20(22(29)26(25-14)17-6-4-3-5-7-17)18-12-19(27)23(2,21(18)28)13-15-8-10-16(24)11-9-15/h3-12,29H,13H2,1-2H3/t23-/m1/s1
InChIKey VPSPCXRAZPSAPI-HSZRJFAPSA-N
Mol Weight 451.32 g/mol
Molecular Formula C23H19BrN2O3
Exact Mass 450.057905 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 45qdnindMO7
Name (R)-2-(4-Bromobenzyl)-4-(5-hydroxy-3-methyl-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 C23H19BrN2O3
InChI InChI=1S/C23H19BrN2O3/c1-14-20(22(29)26(25-14)17-6-4-3-5-7-17)18-12-19(27)23(2,21(18)28)13-15-8-10-16(24)11-9-15/h3-12,29H,13H2,1-2H3/t23-/m1/s1
InChIKey VPSPCXRAZPSAPI-HSZRJFAPSA-N
Literature Reference DOI 10.1002/adsc.201700917
Molecular Weight 451.320 g/mol
SMILES Oc1[n](nc(c1C1=CC([C@@](Cc2ccc(cc2)Br)(C1=O)C)=O)C)-c1ccccc1
SPLASH splash10-0udi-1650900000-9848ce18f345eb10c0ec
Source of Spectrum ASC-359-SM13-3d
Wiley ID 1811563