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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IWYL0qDORnY
Name 2,4,5-T
Source of Sample Sigma-Aldrich Cat. #45667
CAS Registry Number 93-76-5
Classification Pesticides: Herbicides
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 253.930427118 u
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
Molecular Weight 255.484 g/mol
Number of Peaks 48
RI1 1920
SMILES OC(COc1cc(c(cc1Cl)Cl)Cl)=O
SPLASH splash10-0002-1940000000-e5c4ac755b6b67faddfe
Sample Comments RI1: measured on SLB-5ms (Alkanes) RI2: measured on Equity-1 (Alkanes)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms Acetic acid, 2-(2,4,5-trichlorophenoxy)-
Wiley ID LM_PEST_859