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5A,6,7,8-TETRAHYDRO-1-METHYLTHIENO-[3,2-E]-INDOLIZINE-5,5(4H)-DICARBONITRILE
SpectraBase Compound ID DFAduOR6Xkj
InChI InChI=1S/C13H13N3S/c1-9-6-17-10-5-13(7-14,8-15)11-3-2-4-16(11)12(9)10/h6,11H,2-5H2,1H3
InChIKey PJYCSMKXPNVKCT-UHFFFAOYSA-N
Mol Weight 243.33 g/mol
Molecular Formula C13H13N3S
Exact Mass 243.083019 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3nIiPZks9U6
Name 5A,6,7,8-TETRAHYDRO-1-METHYLTHIENO-[3,2-E]-INDOLIZINE-5,5(4H)-DICARBONITRILE
Compound Number 4A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H13N3S
InChI InChI=1S/C13H13N3S/c1-9-6-17-10-5-13(7-14,8-15)11-3-2-4-16(11)12(9)10/h6,11H,2-5H2,1H3
InChIKey PJYCSMKXPNVKCT-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 243.326 g/mol
Solvent CDCl3
Source File Reference UWTS1869