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2,4,5-T octylester
SpectraBase Compound ID I1ys3psckUQ
InChI InChI=1S/C16H21Cl3O3/c1-2-3-4-5-6-7-8-21-16(20)11-22-15-10-13(18)12(17)9-14(15)19/h9-10H,2-8,11H2,1H3
InChIKey VXWISAHTAQYMSH-UHFFFAOYSA-N
Mol Weight 367.7 g/mol
Molecular Formula C16H21Cl3O3
Exact Mass 366.055628 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2tiYp1lXD6q
Name 2,4,5-T octylester
Classification Herbicide
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Exact Mass 366.055627633 u
Formula C16H21Cl3O3
InChI InChI=1S/C16H21Cl3O3/c1-2-3-4-5-6-7-8-21-16(20)11-22-15-10-13(18)12(17)9-14(15)19/h9-10H,2-8,11H2,1H3
InChIKey VXWISAHTAQYMSH-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 367.700 g/mol
SMILES c1c(c(Cl)cc(Cl)c1OCC(=O)OCCCCCCCC)Cl
SPLASH splash10-0a4i-9474000000-5c0ea0d45806196248ec
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) octylester
Technique GC/MS
Wiley ID MMPW6e_1957