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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) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4XPWahkcCoI
Name 2,4,5-Trichlorophenoxyacetic acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 197122
CAS Registry Number 93-76-5
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. 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
Observed nucleus 13C
Purity 98%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_002829