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2-(2-Chloro-4-trifluoromethylthio-phenoxy)-propionic acid, methyl ester

View entire compound with spectra: 4 NMR, and 1 FTIR

2-(2-Chloro-4-trifluoromethylthio-phenoxy)-propionic acid, methyl ester
SpectraBase Compound ID A4R5UfbOgOX
InChI InChI=1S/C11H10ClF3O3S/c1-6(10(16)17-2)18-9-4-3-7(5-8(9)12)19-11(13,14)15/h3-6H,1-2H3
InChIKey PDBAYPIPRRMTRZ-UHFFFAOYSA-N
Mol Weight 314.71 g/mol
Molecular Formula C11H10ClF3O3S
Exact Mass 313.999128 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID bLe5Nxyqc8
Name 2-(2-Chloro-4-trifluoromethylthio-phenoxy)-propionic acid, methyl ester
CAS Registry Number 91456-51-8
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C11H10ClF3O3S
InChI InChI=1S/C11H10ClF3O3S/c1-6(10(16)17-2)18-9-4-3-7(5-8(9)12)19-11(13,14)15/h3-6H,1-2H3
InChIKey PDBAYPIPRRMTRZ-UHFFFAOYSA-N
Instrument Name Bruker WM-360
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3