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3-Nitro-5-(trifluoromethyl)benzoic acid

View entire compound with spectra: 2 NMR, 2 FTIR, and 1 Raman

3-Nitro-5-(trifluoromethyl)benzoic acid
SpectraBase Compound ID Drvil2R6fRz
InChI InChI=1S/C8H4F3NO4/c9-8(10,11)5-1-4(7(13)14)2-6(3-5)12(15)16/h1-3H,(H,13,14)
InChIKey ODCLHXGXGFBBTA-UHFFFAOYSA-N
Mol Weight 235.12 g/mol
Molecular Formula C8H4F3NO4
Exact Mass 235.009242 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID A9GBJoGJ3ah
Name 5-NITRO-alpha,alpha,alpha-TRIFLUORO-m-TOLUIC ACID
Source of Sample Tokyo Kasei Koygo Company, Ltd., Tokyo, Japan
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H4F3NO4
InChI InChI=1S/C8H4F3NO4/c9-8(10,11)5-1-4(7(13)14)2-6(3-5)12(15)16/h1-3H,(H,13,14)
InChIKey ODCLHXGXGFBBTA-UHFFFAOYSA-N
Melting Point 127-129C
Molecular Weight 235.12
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms M-TOLUIC ACID, 5-NITRO-A,A,A-TRIFLUORO-,