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2,5-BIS-(1,3-BENZODITHIOL-2-YL)-3-NITROPYRROLE
SpectraBase Compound ID JmTIRDQOYv7
InChI InChI=1S/C18H12N2O2S4/c21-20(22)11-9-10(17-23-12-5-1-2-6-13(12)24-17)19-16(11)18-25-14-7-3-4-8-15(14)26-18/h1-9,17-19H
InChIKey LFSGOUOTAWWFIT-UHFFFAOYSA-N
Mol Weight 416.5 g/mol
Molecular Formula C18H12N2O2S4
Exact Mass 415.978162 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID APMmtdhbYuZ
Name 2,5-BIS-(1,3-BENZODITHIOL-2-YL)-3-NITROPYRROLE
Compound Number 3D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H12N2O2S4
InChI InChI=1S/C18H12N2O2S4/c21-20(22)11-9-10(17-23-12-5-1-2-6-13(12)24-17)19-16(11)18-25-14-7-3-4-8-15(14)26-18/h1-9,17-19H
InChIKey LFSGOUOTAWWFIT-UHFFFAOYSA-N
Literature Reference Author S.CADAMURO,I.DEGANI,R.FOCHI,A.GATTI,L.PISCOPO
Literature Reference Citation J.CHEM.SOC.PERKIN-1,2939(1993)
Literature Reference DOI 10.1039/p19930002939
Molecular Weight 416.545 g/mol
Solvent CDCl3
Source File Reference UWCS16849