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3-Amino-4-chlorobenzoic acid

View entire compound with spectra: 7 NMR, 3 FTIR, 1 Raman, and 1 MS (GC)

3-Amino-4-chlorobenzoic acid
SpectraBase Compound ID 9DMkUrlahu1
InChI InChI=1S/C7H6ClNO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,9H2,(H,10,11)
InChIKey DMGFVJVLVZOSOE-UHFFFAOYSA-N
Mol Weight 171.58 g/mol
Molecular Formula C7H6ClNO2
Exact Mass 171.008706 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AmJQVC3ACqK
Name 3-Amino-4-chlorobenzoic acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 239364
CAS Registry Number 2840-28-0
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H6ClNO2
InChI InChI=1S/C7H6ClNO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,9H2,(H,10,11)
InChIKey DMGFVJVLVZOSOE-UHFFFAOYSA-N
Observed nucleus 1H
Purity 98%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_1HNMR_003807