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Benzoic acid, 2,3,6-trichloro-, methyl ester
SpectraBase Compound ID 2FihivJbzzG
InChI InChI=1S/C8H5Cl3O2/c1-13-8(12)6-4(9)2-3-5(10)7(6)11/h2-3H,1H3
InChIKey OAWDHDKEHFFNQQ-UHFFFAOYSA-N
Mol Weight 239.48 g/mol
Molecular Formula C8H5Cl3O2
Exact Mass 237.935512 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5ALkYb4AzY
Name Benzoic acid, 2,3,6-trichloro-, methyl ester
CAS Registry Number 2694-06-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H5Cl3O2
InChI InChI=1S/C8H5Cl3O2/c1-13-8(12)6-4(9)2-3-5(10)7(6)11/h2-3H,1H3
InChIKey OAWDHDKEHFFNQQ-UHFFFAOYSA-N
Molecular Weight 239.485 g/mol
SMILES COC(c1c(ccc(c1Cl)Cl)Cl)=O
SPLASH splash10-0a4i-0390000000-c4508613d1b4d776768c
Source of Spectrum PG-1982-1733-0
Synonyms Methyl 2,3,6-trichlorobenzoate 2,3,6-Trichlorobenzoic acid methyl ester Methyl 2,3,6-tris(chloranyl)benzoate Methyl benzoate, 2,3,6-trichloro
Wiley ID 1239915