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Bromo-acetic acid, ethyl ester

View entire compound with spectra: 22 NMR, 11 FTIR, 1 Raman, 9 MS (GC), and 2 Near IR

Bromo-acetic acid, ethyl ester
SpectraBase Compound ID 8I2sjB8vqsD
InChI InChI=1S/C4H7BrO2/c1-2-7-4(6)3-5/h2-3H2,1H3
InChIKey PQJJJMRNHATNKG-UHFFFAOYSA-N
Mol Weight 167.0 g/mol
Molecular Formula C4H7BrO2
Exact Mass 165.962942 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3YwSziStJlI
Name Bromo-acetic acid, ethyl ester
CAS Registry Number 105-36-2
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C4H7BrO2
InChI InChI=1S/C4H7BrO2/c1-2-7-4(6)3-5/h2-3H2,1H3
InChIKey PQJJJMRNHATNKG-UHFFFAOYSA-N
Instrument Name Bruker WM-250
Literature Reference D.E. Cane, T.C. Liang, P.B.Taylor, J. Am. Chem. Soc. 108, 4957 (1986).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3