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(4-Nitrophenyl)-nitromethane

View entire compound with spectra: 7 NMR, 1 FTIR, and 1 MS (GC)

(4-Nitrophenyl)-nitromethane
SpectraBase Compound ID E9YZSLG7C14
InChI InChI=1S/C7H6N2O4/c10-8(11)5-6-1-3-7(4-2-6)9(12)13/h1-4H,5H2
InChIKey MQQSJSOCNUOYBX-UHFFFAOYSA-N
Mol Weight 182.13 g/mol
Molecular Formula C7H6N2O4
Exact Mass 182.032757 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E2oH7ECutEC
Name (4-NITROPHENYL)-NITROMETHANE
Compound Number 1
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H6N2O4
InChI InChI=1S/C7H6N2O4/c10-8(11)5-6-1-3-7(4-2-6)9(12)13/h1-4H,5H2
InChIKey MQQSJSOCNUOYBX-UHFFFAOYSA-N
Literature Reference Author G.MOUTIERS,V.THUET,F.TERRIER
Literature Reference Citation J.CHEM.SOC.PERKIN-2,1479(1997)
Literature Reference DOI 10.1039/a700737j
Molecular Weight 182.136 g/mol
Solvent DMSO-D6
Source File Reference UWRU6239