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4-NITRO-1,2-BENZODIOXANE

View entire compound with spectra: 4 NMR, 1 FTIR, and 4 MS (GC)

4-NITRO-1,2-BENZODIOXANE
SpectraBase Compound ID KC6QmpSZNYM
InChI InChI=1S/C8H7NO4/c10-9(11)6-1-2-7-8(5-6)13-4-3-12-7/h1-2,5H,3-4H2
InChIKey MQSGCURTKWHBRX-UHFFFAOYSA-N
Mol Weight 181.15 g/mol
Molecular Formula C8H7NO4
Exact Mass 181.037508 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bkf6vmJKHwB
Name 4-NITRO-1,2-BENZODIOXANE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H7NO4
InChI InChI=1S/C8H7NO4/c10-9(11)6-1-2-7-8(5-6)13-4-3-12-7/h1-2,5H,3-4H2
InChIKey MQSGCURTKWHBRX-UHFFFAOYSA-N
Literature Reference Author G.W.BUCHANAN,A.B.DRIEGA,C.I.RATCLIFFE
Literature Reference Citation MAGN.RES.CHEM.,31,1094(1993)
Literature Reference DOI 10.1002/mrc.1260311214
Molecular Weight 181.148 g/mol
Solvent CDCl3;C=0.1M
Source File Reference UWAT9