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2,4,5-Trichlorophenoxyacetic acid

View entire compound with spectra: 10 NMR, 8 FTIR, 1 Raman, and 18 MS (GC)

2,4,5-Trichlorophenoxyacetic acid
SpectraBase Compound ID 4qsN7vX1G47
InChI InChI=1S/C8H5Cl3O3/c9-4-1-6(11)7(2-5(4)10)14-3-8(12)13/h1-2H,3H2,(H,12,13)
InChIKey SMYMJHWAQXWPDB-UHFFFAOYSA-N
Mol Weight 255.48 g/mol
Molecular Formula C8H5Cl3O3
Exact Mass 253.930427 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2pWrKT12uwZ
Name Acetic acid, (2,4,5-trichlorophenoxy)-
CAS Registry Number 93-76-5
Comments PROTON SPECTRA REPORTED
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H5Cl3O3
InChI InChI=1S/C8H5Cl3O3/c9-4-1-6(11)7(2-5(4)10)14-3-8(12)13/h1-2H,3H2,(H,12,13)
InChIKey SMYMJHWAQXWPDB-UHFFFAOYSA-N
Instrument Name Bruker HX-90
Literature Reference P. Junghans, H. Sprinz, Z. Chem. 15, 153 (1975).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6