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Methyl 2,5-dichlorobenzoate

View entire compound with spectra: 3 NMR, 3 FTIR, 1 Raman, and 2 MS (GC)

Methyl 2,5-dichlorobenzoate
SpectraBase Compound ID 9FSfEW5IDVq
InChI InChI=1S/C8H6Cl2O2/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4H,1H3
InChIKey SPJQBGGHUDNAIC-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 INHaHK9qDDi
Name Benzoic acid, 2,5-dichloro-, methyl ester
Alternate Name(s) 2,5-Dichlorobenzoic acid methyl ester Methyl 2,5-bis(chloranyl)benzoate Methyl 2,5-dichlorobenzoate EINECS 220-815-7 HSDB 5903
CAS Registry Number 2905-69-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H6Cl2O2
InChI InChI=1S/C8H6Cl2O2/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4H,1H3
InChIKey SPJQBGGHUDNAIC-UHFFFAOYSA-N
Molecular Weight 205.040 g/mol
SMILES COC(c1cc(ccc1Cl)Cl)=O
SPLASH splash10-00fr-4910000000-2c6571666e0c67982c4c
Source of Spectrum W5-16125-0-0
Wiley ID 1201248