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3,7-BIS-(PHENYLTHIO)-BICYCLO-[3.3.0]-OCTA-2,6-DIENE
SpectraBase Compound ID 1QaUuL0uVnz
InChI InChI=1S/C20H18S2/c1-3-7-17(8-4-1)21-19-11-15-13-20(14-16(15)12-19)22-18-9-5-2-6-10-18/h1-11,14-16H,12-13H2/t15-,16+/m1/s1
InChIKey MSCBNXROSSVIPY-CVEARBPZSA-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 99UtpvjdofI
Name 3,7-BIS-(PHENYLTHIO)-BICYCLO-[3.3.0]-OCTA-2,6-DIENE
CAS Registry Number 139462-72-9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H18S2
InChI InChI=1S/C20H18S2/c1-3-7-17(8-4-1)21-19-11-15-13-20(14-16(15)12-19)22-18-9-5-2-6-10-18/h1-11,14-16H,12-13H2/t15-,16+/m1/s1
InChIKey MSCBNXROSSVIPY-CVEARBPZSA-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 UWCS8655