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(3-METHYL-1-PHENYL-1H-PYRAZOL-5-YL)-4-CHLOROBENZOATE
SpectraBase Compound ID 4tLeln5ndHr
InChI InChI=1S/C17H13ClN2O2/c1-12-11-16(20(19-12)15-5-3-2-4-6-15)22-17(21)13-7-9-14(18)10-8-13/h2-11H,1H3
InChIKey UUJUJDCXSHLCJS-UHFFFAOYSA-N
Mol Weight 312.76 g/mol
Molecular Formula C17H13ClN2O2
Exact Mass 312.066555 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9fOcjxM6ZXw
Name (3-METHYL-1-PHENYL-1H-PYRAZOL-5-YL)-4-CHLOROBENZOATE
Compound Number 3D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H13ClN2O2
InChI InChI=1S/C17H13ClN2O2/c1-12-11-16(20(19-12)15-5-3-2-4-6-15)22-17(21)13-7-9-14(18)10-8-13/h2-11H,1H3
InChIKey UUJUJDCXSHLCJS-UHFFFAOYSA-N
Literature Reference Author H.MARUOKA,K.YAMAGATA,F.OKABE,Y.TOMIOKA
Literature Reference Citation J.HETCYCL.CHEM.,43,859(2006)
Literature Reference DOI 10.1002/jhet.5570430408
Molecular Weight 312.755 g/mol
Sample ID 67522
Solvent CDCl3