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3,4-Dichlorobenzoic acid methyl ester
SpectraBase Compound ID 95EaHlxnLUb
InChI InChI=1S/C8H6Cl2O2/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4H,1H3
InChIKey WICGATIORFSOJL-UHFFFAOYSA-N
Mol Weight 205.04 g/mol
Molecular Formula C8H6Cl2O2
Exact Mass 203.974485 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E86e6sU50Yt
Name Benzoic acid, 3,4-dichloro-, methyl ester
Alternate Name(s) 3,4-Dichlorobenzoic acid methyl ester Methyl 3,4-bis(chloranyl)benzoate Methyl 3,4-dichlorobenzoate AI3-22418
CAS Registry Number 2905-68-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H6Cl2O2
InChI InChI=1S/C8H6Cl2O2/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4H,1H3
InChIKey WICGATIORFSOJL-UHFFFAOYSA-N
Molecular Weight 205.040 g/mol
SMILES COC(=O)c1cc(Cl)c(Cl)cc1
SPLASH splash10-00fr-2910000000-6f4f0af0cca81ab6e3e5
Source of Spectrum UB-0-29-0
Wiley ID 1201249