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5-BUTYL-2-[4,5-BIS-(METHYLTHIO)-1,3-DITHIOLE-2-YLIDEN]-(1,3)-DITHIOLO-[4,5-C]-PYRROLE
SpectraBase Compound ID 99vX2jTbV41
InChI InChI=1S/C14H17NS6/c1-4-5-6-15-7-9-10(8-15)19-13(18-9)14-20-11(16-2)12(17-3)21-14/h7-8H,4-6H2,1-3H3
InChIKey PTRGWKHGWNDGGB-UHFFFAOYSA-N
Mol Weight 391.7 g/mol
Molecular Formula C14H17NS6
Exact Mass 390.968527 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2Pilv2iQFlI
Name 5-BUTYL-2-[4,5-BIS-(METHYLTHIO)-1,3-DITHIOLE-2-YLIDEN]-(1,3)-DITHIOLO-[4,5-C]-PYRROLE
Compound Number 20B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H17NS6
InChI InChI=1S/C14H17NS6/c1-4-5-6-15-7-9-10(8-15)19-13(18-9)14-20-11(16-2)12(17-3)21-14/h7-8H,4-6H2,1-3H3
InChIKey PTRGWKHGWNDGGB-UHFFFAOYSA-N
Literature Reference Author J.O.JEPPESEN,K.TAKIMIYA,F.JENSEN,J.BECHER
Literature Reference Citation ORG.LETTERS,1,1291(1999)
Literature Reference DOI 10.1021/ol9902428
Molecular Weight 391.656 g/mol
Solvent CDCl3
Source File Reference UWSI26463