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DIMETHYL-5-BENZOYL-4-BENZYL-4H-PYRAZOLE-3,4-DICARBOXYLATE
SpectraBase Compound ID Jjlgl6zLZzp
InChI InChI=1S/C21H18N2O5/c1-27-19(25)18-21(20(26)28-2,13-14-9-5-3-6-10-14)17(22-23-18)16(24)15-11-7-4-8-12-15/h3-12H,13H2,1-2H3
InChIKey AYEUELUENYDBAX-UHFFFAOYSA-N
Mol Weight 378.38 g/mol
Molecular Formula C21H18N2O5
Exact Mass 378.121572 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BT7fGcrlF6s
Name DIMETHYL-5-BENZOYL-4-BENZYL-4H-PYRAZOLE-3,4-DICARBOXYLATE
Compound Number 21A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H18N2O5
InChI InChI=1S/C21H18N2O5/c1-27-19(25)18-21(20(26)28-2,13-14-9-5-3-6-10-14)17(22-23-18)16(24)15-11-7-4-8-12-15/h3-12H,13H2,1-2H3
InChIKey AYEUELUENYDBAX-UHFFFAOYSA-N
Literature Reference Author J.WARKENTIN,J.M.R.WOOLLARD
Literature Reference Citation CAN.J.CHEM.,75,289(1997)
Literature Reference DOI 10.1139/v97-033
Molecular Weight 378.384 g/mol
Solvent CDCl3
Source File Reference UWCP5796