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7,9,11-TRIMETHYL-10-OXO-3-PHENYL-2-THIA-6-AZATRICYCLO-[5.3.2.0(1,5)]-DODECA-3,5,8,11-TETRAEN-4-CARBONITRILE
SpectraBase Compound ID CsRflRMhyB4
InChI InChI=1S/C20H16N2OS/c1-12-9-19(3)10-13(2)20(18(12)23)17(22-19)15(11-21)16(24-20)14-7-5-4-6-8-14/h4-10H,1-3H3/t19-,20-/m1/s1
InChIKey OHXBAXCBJFQVHQ-WOJBJXKFSA-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 FzYkJAPMkfb
Name 7,9,11-TRIMETHYL-10-OXO-3-PHENYL-2-THIA-6-AZATRICYCLO-[5.3.2.0(1,5)]-DODECA-3,5,8,11-TETRAEN-4-CARBONITRILE
CAS Registry Number 118538-94-6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H16N2OS
InChI InChI=1S/C20H16N2OS/c1-12-9-19(3)10-13(2)20(18(12)23)17(22-19)15(11-21)16(24-20)14-7-5-4-6-8-14/h4-10H,1-3H3/t19-,20-/m1/s1
InChIKey OHXBAXCBJFQVHQ-WOJBJXKFSA-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 UWGB1533