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Trichloro-acetic acid, ethyl ester

View entire compound with spectra: 21 NMR, 8 FTIR, 1 Raman, 3 MS (GC), and 2 Near IR

Trichloro-acetic acid, ethyl ester
SpectraBase Compound ID HhdrakHyC0R
InChI InChI=1S/C4H5Cl3O2/c1-2-9-3(8)4(5,6)7/h2H2,1H3
InChIKey SJMLNDPIJZBEKY-UHFFFAOYSA-N
Mol Weight 191.44 g/mol
Molecular Formula C4H5Cl3O2
Exact Mass 189.935512 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Izwrq6u7l4K
Name Trichloro-acetic acid, ethyl ester
CAS Registry Number 515-84-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C4H5Cl3O2
InChI InChI=1S/C4H5Cl3O2/c1-2-9-3(8)4(5,6)7/h2H2,1H3
InChIKey SJMLNDPIJZBEKY-UHFFFAOYSA-N
Instrument Name Jeol PFT-100
Literature Reference S.W. Pelletier, Z. Djarmati, C.Pape, Tetrahedron 32, 995 (1976).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3