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3-Nitroaniline

View entire compound with spectra: 38 NMR, 7 FTIR, and 9 MS (GC)

3-Nitroaniline
SpectraBase Compound ID FCkchS6Wu0t
InChI InChI=1S/C6H6N2O2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H,7H2
InChIKey XJCVRTZCHMZPBD-UHFFFAOYSA-N
Mol Weight 138.13 g/mol
Molecular Formula C6H6N2O2
Exact Mass 138.042927 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DtvMCPUTGlK
Name 3-Nitroaniline
CAS Registry Number 99-09-2
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C6H6N2O2
InChI InChI=1S/C6H6N2O2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H,7H2
InChIKey XJCVRTZCHMZPBD-UHFFFAOYSA-N
Instrument Name Jeol PFT-100
Literature Reference J. Bromilow, R.T. Brownlee, D.J. Craik, M.Sadek, Magn. Res. Chem. 24, 862 (1986)
NMR Standard CDCl3
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3