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Butyl 2,4-D
SpectraBase Compound ID FO7LHsWlbGH
InChI InChI=1S/C12H14Cl2O3/c1-2-3-6-16-12(15)8-17-11-5-4-9(13)7-10(11)14/h4-5,7H,2-3,6,8H2,1H3
InChIKey UQMRAFJOBWOFNS-UHFFFAOYSA-N
Mol Weight 277.15 g/mol
Molecular Formula C12H14Cl2O3
Exact Mass 276.032 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ohIk384PoR
Name Butyl 2,4-D
Source of Sample Sigma-Aldrich Cat. #45732
CAS Registry Number 94-80-4
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 276.031999708 u
Formula C12H14Cl2O3
InChI InChI=1S/C12H14Cl2O3/c1-2-3-6-16-12(15)8-17-11-5-4-9(13)7-10(11)14/h4-5,7H,2-3,6,8H2,1H3
InChIKey UQMRAFJOBWOFNS-UHFFFAOYSA-N
Molecular Weight 277.147 g/mol
Number of Peaks 49
RI1 1879
SMILES C(Oc1c(Cl)cc(Cl)cc1)C(OCCCC)=O
SPLASH splash10-06tu-6920000000-09b9f51c8b2b3aa5c38c
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-dichlorophenoxy)-, butyl ester
Wiley ID LM_PEST_571