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GNTNGOQWBKVXKE-UHFFFAOYSA-N
SpectraBase Compound ID JxILPABtwbm
InChI InChI=1S/C7H9BrN2O2/c1-3-12-7(11)6-5(8)4(2)9-10-6/h3H2,1-2H3,(H,9,10)
InChIKey GNTNGOQWBKVXKE-UHFFFAOYSA-N
Mol Weight 233.06 g/mol
Molecular Formula C7H9BrN2O2
Exact Mass 231.984741 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DKWULyL5sVB
Name 4-Bromo-5-methyl-3-pyrazolecarboxylic acid, ethyl ester
CAS Registry Number 6076-14-8
Comments C1,C3,C4,C7 OBSERVED AFTER CF3COOH ADDITION
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C7H9BrN2O2
InChI InChI=1S/C7H9BrN2O2/c1-3-12-7(11)6-5(8)4(2)9-10-6/h3H2,1-2H3,(H,9,10)
InChIKey GNTNGOQWBKVXKE-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