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[1-(7-OXO-1,3,5-CYCLOHEPTATRIEN-1-YLTHIO)-ETHYLIDENE]-PROPANEDINITRILE
SpectraBase Compound ID EUqf5lxtd4G
InChI InChI=1S/C12H8N2OS/c1-9(10(7-13)8-14)16-12-6-4-2-3-5-11(12)15/h2-6H,1H3
InChIKey GTMPKBPKFIOXES-UHFFFAOYSA-N
Mol Weight 228.27 g/mol
Molecular Formula C12H8N2OS
Exact Mass 228.035734 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cgza8vnRMfW
Name [1-(7-OXO-1,3,5-CYCLOHEPTATRIEN-1-YLTHIO)-ETHYLIDENE]-PROPANEDINITRILE
CAS Registry Number 118538-89-9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H8N2OS
InChI InChI=1S/C12H8N2OS/c1-9(10(7-13)8-14)16-12-6-4-2-3-5-11(12)15/h2-6H,1H3
InChIKey GTMPKBPKFIOXES-UHFFFAOYSA-N
Literature Reference Author K.HARTKE,W.F.RICHTER,W.MASSA,G.BAUM
Literature Reference Citation CHEM.BER.,122,657(1989)
Literature Reference DOI 10.1002/cber.19891220412
Molecular Weight 228.268 g/mol
Solvent CDCl3
Source File Reference UWGB1528