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3-Nitro-benzoic acid

View entire compound with spectra: 11 NMR, 6 FTIR, 1 Raman, and 14 MS (GC)

3-Nitro-benzoic acid
SpectraBase Compound ID Ct4JIqjayv8
InChI InChI=1S/C7H5NO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)
InChIKey AFPHTEQTJZKQAQ-UHFFFAOYSA-N
Mol Weight 167.12 g/mol
Molecular Formula C7H5NO4
Exact Mass 167.021858 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8cxmDh6uFsV
Name 3-Nitrobenzoic acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 185329
CAS Registry Number 121-92-6
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H5NO4
InChI InChI=1S/C7H5NO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)
InChIKey AFPHTEQTJZKQAQ-UHFFFAOYSA-N
Observed nucleus 13C
Purity 99%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_002354