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4-chloro-2-nitro-benzoic acid methyl ester

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

4-chloro-2-nitro-benzoic acid methyl ester
SpectraBase Compound ID DTlM72d832W
InChI InChI=1S/C8H6ClNO4/c1-14-8(11)6-3-2-5(9)4-7(6)10(12)13/h2-4H,1H3
InChIKey JWOSXVMUUBWGOL-UHFFFAOYSA-N
Mol Weight 215.59 g/mol
Molecular Formula C8H6ClNO4
Exact Mass 214.998535 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2YoQ4166XWZ
Name Methyl 4-chloro-2-nitrobenzoate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 217352
CAS Registry Number 42087-80-9
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H6ClNO4
InChI InChI=1S/C8H6ClNO4/c1-14-8(11)6-3-2-5(9)4-7(6)10(12)13/h2-4H,1H3
InChIKey JWOSXVMUUBWGOL-UHFFFAOYSA-N
Observed nucleus 13C
Purity 99%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_003115