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3-Bromo-2-butynecarboxylic acid, ethyl ester

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3-Bromo-2-butynecarboxylic acid, ethyl ester
SpectraBase Compound ID Gk0b3OdwVC1
InChI InChI=1S/C6H7BrO2/c1-2-9-6(8)4-3-5-7/h2,5H2,1H3
InChIKey XTUNBSQHSNLFLN-UHFFFAOYSA-N
Mol Weight 191.02 g/mol
Molecular Formula C6H7BrO2
Exact Mass 189.962942 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CMvF78Ow1D2
Name 3-Bromo-2-butynecarboxylic acid, ethyl ester
CAS Registry Number 39595-70-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C6H7BrO2
InChI InChI=1S/C6H7BrO2/c1-2-9-6(8)4-3-5-7/h2,5H2,1H3
InChIKey XTUNBSQHSNLFLN-UHFFFAOYSA-N
Instrument Name Bruker WP-80
Literature Reference I. Macinnes, J.C. Walton, J. Chem. Soc. Perkin II 1077 (1987).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3