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Acetic acid,(2,4,5-trichlorophenoxy)-,tert-butyl ester

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Acetic acid,(2,4,5-trichlorophenoxy)-,tert-butyl ester
SpectraBase Compound ID FUk98mZXJ7Y
InChI InChI=1S/C12H13Cl3O3/c1-12(2,3)18-11(16)6-17-10-5-8(14)7(13)4-9(10)15/h4-5H,6H2,1-3H3
InChIKey WFCKQHZKIFVNTQ-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 HXrBWQ9Cw42
Name tert-Butyl (2,4,5-trichlorophenoxy)acetate
CAS Registry Number 51550-50-6
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13Cl3O3
InChI InChI=1S/C12H13Cl3O3/c1-12(2,3)18-11(16)6-17-10-5-8(14)7(13)4-9(10)15/h4-5H,6H2,1-3H3
InChIKey WFCKQHZKIFVNTQ-UHFFFAOYSA-N
Molecular Weight 311.592 g/mol
SMILES c1(c(cc(c(c1)Cl)OCC(=O)OC(C)(C)C)Cl)Cl
SPLASH splash10-0a4l-9110000000-29b60a08fca980e71f35
Synonyms 2-(2,4,5-trichlorophenoxy)acetic acid tert-butyl ester tert-Butyl 2-(2,4,5-trichlorophenoxy)acetate tert-Butyl 2-[2,4,5-tris(chloranyl)phenoxy]ethanoate
Wiley ID 1470825