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2,5-BIS-(1,3-BENZODITHIOL-2-YL)-3-FORMYLPYRROLE
SpectraBase Compound ID 1xImjYaAhO6
InChI InChI=1S/C19H13NOS4/c21-10-11-9-12(18-22-13-5-1-2-6-14(13)23-18)20-17(11)19-24-15-7-3-4-8-16(15)25-19/h1-10,18-20H
InChIKey AAFZMYRURFKHSW-UHFFFAOYSA-N
Mol Weight 399.6 g/mol
Molecular Formula C19H13NOS4
Exact Mass 398.987999 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KX209jcSziA
Name 2,5-BIS-(1,3-BENZODITHIOL-2-YL)-3-FORMYLPYRROLE
Compound Number 3E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H13NOS4
InChI InChI=1S/C19H13NOS4/c21-10-11-9-12(18-22-13-5-1-2-6-14(13)23-18)20-17(11)19-24-15-7-3-4-8-16(15)25-19/h1-10,18-20H
InChIKey AAFZMYRURFKHSW-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 399.558 g/mol
Solvent DMSO-D6
Source File Reference UWCS16850