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METHYL-4-BENZYL-5-(4-TRIFLUOROMETHYLBENZOYL)-1H-PYRAZOLE-3-CARBOXYLATE

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METHYL-4-BENZYL-5-(4-TRIFLUOROMETHYLBENZOYL)-1H-PYRAZOLE-3-CARBOXYLATE
SpectraBase Compound ID K9bsRwj4GNG
InChI InChI=1S/C20H15F3N2O3/c1-28-19(27)17-15(11-12-5-3-2-4-6-12)16(24-25-17)18(26)13-7-9-14(10-8-13)20(21,22)23/h2-10H,11H2,1H3,(H,24,25)
InChIKey DJRDQFHWWBSJPU-UHFFFAOYSA-N
Mol Weight 388.35 g/mol
Molecular Formula C20H15F3N2O3
Exact Mass 388.103477 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JNALJiPUXRG
Name METHYL-4-BENZYL-5-(4-TRIFLUOROMETHYLBENZOYL)-1H-PYRAZOLE-3-CARBOXYLATE
Compound Number 22E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H15F3N2O3
InChI InChI=1S/C20H15F3N2O3/c1-28-19(27)17-15(11-12-5-3-2-4-6-12)16(24-25-17)18(26)13-7-9-14(10-8-13)20(21,22)23/h2-10H,11H2,1H3,(H,24,25)
InChIKey DJRDQFHWWBSJPU-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 388.346 g/mol
Solvent CDCl3
Source File Reference UWCP5825