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4-Nitrotoluene

View entire compound with spectra: 55 NMR, 6 FTIR, 1 UV-Vis, and 20 MS (GC)

4-Nitrotoluene
SpectraBase Compound ID Is0v2TNiaOj
InChI InChI=1S/C7H7NO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3
InChIKey ZPTVNYMJQHSSEA-UHFFFAOYSA-N
Mol Weight 137.14 g/mol
Molecular Formula C7H7NO2
Exact Mass 137.047678 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BWookWIkcsy
Name 4-Nitro-toluene
CAS Registry Number 99-99-0
Comments M.J.SHAPIRO,J.ORG.CHEM.43,212(1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C7H7NO2
InChI InChI=1S/C7H7NO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3
InChIKey ZPTVNYMJQHSSEA-UHFFFAOYSA-N
Instrument Name Jeol FX-60
Literature Reference M.J. Shapiro, J. Org. Chem. 42, 762 (1977).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3