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2,4,5-T isobutylester
SpectraBase Compound ID 1VncFlHzMYC
InChI InChI=1S/C12H13Cl3O3/c1-3-7(2)18-12(16)6-17-11-5-9(14)8(13)4-10(11)15/h4-5,7H,3,6H2,1-2H3
InChIKey KOCPUBZALOBLTB-UHFFFAOYSA-N
Mol Weight 311.59 g/mol
Molecular Formula C12H13Cl3O3
Exact Mass 309.993027 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 86MwnVXu0N6
Name 2,4,5-T isobutylester
CAS Registry Number 4938-72-1
Classification Herbicide
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Exact Mass 309.993027376 u
Formula C12H13Cl3O3
InChI InChI=1S/C12H13Cl3O3/c1-3-7(2)18-12(16)6-17-11-5-9(14)8(13)4-10(11)15/h4-5,7H,3,6H2,1-2H3
InChIKey KOCPUBZALOBLTB-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 311.592 g/mol
SMILES c1c(c(cc(c1Cl)Cl)Cl)OCC(OC(CC)C)=O
SPLASH splash10-0bt9-7893000000-0d894e01512d77788817
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Synonyms 2,4,5-Trichlorophenoxyacetic acid (T) isobutylester
Technique GC/MS
Wiley ID MMPW6e_1956