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[ALPHA-(2,4,6-TRIMETHYL-7-OXO-1,3,5-CYCLOHEPTATRIEN-1-YLTHIO)-BENZYLIDENE]-PROPANEDINITRILE
SpectraBase Compound ID BsBj7niKH66
InChI InChI=1S/C20H16N2OS/c1-13-9-14(2)18(23)19(15(3)10-13)24-20(17(11-21)12-22)16-7-5-4-6-8-16/h4-10H,1-3H3
InChIKey PYPSHIOUTUYDGI-UHFFFAOYSA-N
Mol Weight 332.42 g/mol
Molecular Formula C20H16N2OS
Exact Mass 332.098334 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kn8lbqCkqmO
Name [ALPHA-(2,4,6-TRIMETHYL-7-OXO-1,3,5-CYCLOHEPTATRIEN-1-YLTHIO)-BENZYLIDENE]-PROPANEDINITRILE
CAS Registry Number 118575-23-8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H16N2OS
InChI InChI=1S/C20H16N2OS/c1-13-9-14(2)18(23)19(15(3)10-13)24-20(17(11-21)12-22)16-7-5-4-6-8-16/h4-10H,1-3H3
InChIKey PYPSHIOUTUYDGI-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 332.420 g/mol
Solvent CDCl3
Source File Reference UWGB1531