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BQUUXGPEWAUSLS-UHFFFAOYSA-N

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BQUUXGPEWAUSLS-UHFFFAOYSA-N
SpectraBase Compound ID 3g3K3l5N6hW
InChI InChI=1S/C12H12N2O2/c1-2-16-12(15)11-10(8-13-14-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,13,14)
InChIKey BQUUXGPEWAUSLS-UHFFFAOYSA-N
Mol Weight 216.24 g/mol
Molecular Formula C12H12N2O2
Exact Mass 216.089878 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7iw8GXzjce5
Name 4-Phenyl-3-pyrazolecarboxylic acid, ethyl ester
CAS Registry Number 6963-62-8
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H12N2O2
InChI InChI=1S/C12H12N2O2/c1-2-16-12(15)11-10(8-13-14-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,13,14)
InChIKey BQUUXGPEWAUSLS-UHFFFAOYSA-N
Instrument Name Bruker WP-80
Literature Reference P. Cabildo, R.M. Claramunt, J. Elguero, Org. Magn. Resonance 22, 603 (1984).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6