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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) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B7ta1BiIANi
Name 3-Nitro-benzoic acid
CAS Registry Number 121-92-6
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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
Instrument Name Varian CFT-20
Literature Reference R.I. Gelb, L.M. Schwartz, B. Cardelino, J. Am. Chem. Soc. 103, 1750 (1981).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent D2O