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2-NITRODIBENZO-[B,D]-THIOPHENE-5,5-DIOXIDE
SpectraBase Compound ID 80S9wMdfwsG
InChI InChI=1S/C12H7NO4S/c14-13(15)8-5-6-12-10(7-8)9-3-1-2-4-11(9)18(12,16)17/h1-7H
InChIKey RKNBFSKANRFUQQ-UHFFFAOYSA-N
Mol Weight 261.25 g/mol
Molecular Formula C12H7NO4S
Exact Mass 261.009579 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3sqAfWYlfG3
Name 2-NITRODIBENZO-[B,D]-THIOPHENE-5,5-DIOXIDE
Compound Number 5A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H7NO4S
InChI InChI=1S/C12H7NO4S/c14-13(15)8-5-6-12-10(7-8)9-3-1-2-4-11(9)18(12,16)17/h1-7H
InChIKey RKNBFSKANRFUQQ-UHFFFAOYSA-N
Literature Reference Author R.TEODORO,M.SCHEUNEMANN,W.DEUTHER-CONRAD,B.WENZEL,F.M.FASOLI ,C.GOTTI,M.KRANZ,C.K
Literature Reference Citation MOLECULES,20,18387(2015)
Literature Reference DOI 10.3390/molecules201018387
Molecular Weight 261.252 g/mol
Solvent DMSO-D6
Source File Reference UWPA5218