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2,4,6-trinitroanisole

View entire compound with spectra: 17 NMR, 1 FTIR, and 2 UV-Vis

2,4,6-trinitroanisole
SpectraBase Compound ID AyhqqohexoO
InChI InChI=1S/C7H5N3O7/c1-17-7-5(9(13)14)2-4(8(11)12)3-6(7)10(15)16/h2-3H,1H3
InChIKey FMXDVBRYDYFVGS-UHFFFAOYSA-N
Mol Weight 243.13 g/mol
Molecular Formula C7H5N3O7
Exact Mass 243.01275 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3SodH3gdcqp
Name 2,4,6-TRINITROANISOLE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H5N3O7
InChI InChI=1S/C7H5N3O7/c1-17-7-5(9(13)14)2-4(8(11)12)3-6(7)10(15)16/h2-3H,1H3
InChIKey FMXDVBRYDYFVGS-UHFFFAOYSA-N
Literature Reference Author E.BUNCEL,J.M.DUST,R.A.MANDERVILLE,R.M.TARKKA
Literature Reference Citation CAN.J.CHEM.,81,443(2003)
Literature Reference DOI 10.1139/v03-014
Molecular Weight 243.133 g/mol
Solvent DMSO-D6
Source File Reference UWLU30012