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3-Nitro-p-toluic acid

View entire compound with spectra: 6 NMR, 4 FTIR, 1 Raman, and 1 MS (GC)

3-Nitro-p-toluic acid
SpectraBase Compound ID IoV20p0Opqb
InChI InChI=1S/C8H7NO4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4H,1H3,(H,10,11)
InChIKey BBEWSMNRCUXQRF-UHFFFAOYSA-N
Mol Weight 181.15 g/mol
Molecular Formula C8H7NO4
Exact Mass 181.037508 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9g9nxcnfHmi
Name 3-NITRO-p-TOLUIC ACID
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7NO4
InChI InChI=1S/C8H7NO4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4H,1H3,(H,10,11)
InChIKey BBEWSMNRCUXQRF-UHFFFAOYSA-N
Melting Point 187-190C
Molecular Weight 181.15
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms P-TOLUIC ACID, 3-NITRO-, BENZOIC ACID, 4-METHYL-3-NITRO-,