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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 CQJZTWebiYK
Name 4-Nitro-toluene
CAS Registry Number 99-99-0
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 PS-100
Literature Reference Y. Nakai, T. Takabayashi, F. Yamada, Org. Magn. Resonance 13, 95 (1980).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent Acetone-D6