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Trichloro-acetic acid, methyl ester

View entire compound with spectra: 12 NMR, 5 FTIR, 1 Raman, 10 MS (GC), and 2 Near IR

Trichloro-acetic acid, methyl ester
SpectraBase Compound ID GiBovrfEak7
InChI InChI=1S/C3H3Cl3O2/c1-8-2(7)3(4,5)6/h1H3
InChIKey VHFUHRXYRYWELT-UHFFFAOYSA-N
Mol Weight 177.41 g/mol
Molecular Formula C3H3Cl3O2
Exact Mass 175.919862 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4JQIu08dhpt
Name Trichloro-acetic acid, methyl ester
CAS Registry Number 598-99-2
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C3H3Cl3O2
InChI InChI=1S/C3H3Cl3O2/c1-8-2(7)3(4,5)6/h1H3
InChIKey VHFUHRXYRYWELT-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