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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

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KBUNXqaMdWC
Name Methyl 2,5-dichlorobenzoate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 166731
CAS Registry Number 2905-69-3
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 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
Observed nucleus 13C
Purity 99%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_002025