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m-nitrobenzoic acid, methyl ester

View entire compound with spectra: 13 NMR, 6 FTIR, 1 Raman, and 4 MS (GC)

m-nitrobenzoic acid, methyl ester
SpectraBase Compound ID D19XoIFjYkc
InChI InChI=1S/C8H7NO4/c1-13-8(10)6-3-2-4-7(5-6)9(11)12/h2-5H,1H3
InChIKey AXLYJLKKPUICKV-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 FVH08AkroJj
Name 3-Nitro-benzoic acid, methyl ester
CAS Registry Number 618-95-1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H7NO4
InChI InChI=1S/C8H7NO4/c1-13-8(10)6-3-2-4-7(5-6)9(11)12/h2-5H,1H3
InChIKey AXLYJLKKPUICKV-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference F.J. Williams, H.M. Relles, J.S. Manello, J. Org. Chem. 42, 3419 (1977).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6