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[[2-(1-PYRROLIDINYL)-BENZO-[B]-THIEN-3-YL]-METHYLENE]-PROPANEDINITRILE
SpectraBase Compound ID 3KqNymOfDx5
InChI InChI=1S/C16H13N3S/c17-10-12(11-18)9-14-13-5-1-2-6-15(13)20-16(14)19-7-3-4-8-19/h1-2,5-6,9H,3-4,7-8H2
InChIKey PDOAQBVTNUMURP-UHFFFAOYSA-N
Mol Weight 279.36 g/mol
Molecular Formula C16H13N3S
Exact Mass 279.083019 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JiSce2rSxRC
Name [[2-(1-PYRROLIDINYL)-BENZO-[B]-THIEN-3-YL]-METHYLENE]-PROPANEDINITRILE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H13N3S
InChI InChI=1S/C16H13N3S/c17-10-12(11-18)9-14-13-5-1-2-6-15(13)20-16(14)19-7-3-4-8-19/h1-2,5-6,9H,3-4,7-8H2
InChIKey PDOAQBVTNUMURP-UHFFFAOYSA-N
Literature Reference Author W.VERBOOM,C.VERBOOM,I.M.EISSINK,B.H.M.LAMMERINK,D.N.REINHOUD T
Literature Reference Citation REC.TR.CH.P.-B.,109,481(1990)
Literature Reference DOI 10.1002/recl.19901090907
Molecular Weight 279.359 g/mol
Solvent CDCl3
Source File Reference UWTS1866