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2,6-BIS-(PHENYLTHIO)-BICYCLO-[3.3.0]-OCTA-2,6-DIENE
SpectraBase Compound ID JSOILEORWKB
InChI InChI=1S/C20H18S2/c1-3-7-15(8-4-1)21-19-13-11-18-17(19)12-14-20(18)22-16-9-5-2-6-10-16/h1-10,13-14,17-18H,11-12H2/t17-,18-/m1/s1
InChIKey CAPMYLIZEIGEGL-QZTJIDSGSA-N
Mol Weight 322.48 g/mol
Molecular Formula C20H18S2
Exact Mass 322.084993 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GoHX2jXO7fQ
Name 2,6-BIS-(PHENYLTHIO)-BICYCLO-[3.3.0]-OCTA-2,6-DIENE
CAS Registry Number 139462-70-7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H18S2
InChI InChI=1S/C20H18S2/c1-3-7-15(8-4-1)21-19-13-11-18-17(19)12-14-20(18)22-16-9-5-2-6-10-16/h1-10,13-14,17-18H,11-12H2/t17-,18-/m1/s1
InChIKey CAPMYLIZEIGEGL-QZTJIDSGSA-N
Literature Reference Author H.QUAST,J.CARLSEN,R.JANIAK,E.M.PETERS,K.PETERS,H.G.VONSCHNER ING
Literature Reference Citation CHEM.BER.,125,955(1992)
Literature Reference DOI 10.1002/cber.19921250430
Molecular Weight 322.483 g/mol
Solvent CDCl3
Source File Reference UWCS8647