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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 LsaQiLuaSyl
Name ETHYL-BROMOACETATE
Compound Number 8
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C4H7BrO2
InChI InChI=1S/C4H7BrO2/c1-2-7-4(6)3-5/h2-3H2,1H3
InChIKey PQJJJMRNHATNKG-UHFFFAOYSA-N
Literature Reference Author F.J.H.M.JANSEN,M.KWESTRO,D.SCHMITT,J.LUGTENBURG
Literature Reference Citation REC.TR.CH.P.-B.,113,552(1994)
Literature Reference DOI 10.1002/recl.19941131205
Molecular Weight 167.002 g/mol
Solvent CDCl3
Source File Reference UWCH112