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1,5-DIMETHYL-2,6-BIS-(PHENYLTHIO)-BICYCLO-[3.3.0]-OCTA-2,6-DIENE
SpectraBase Compound ID 2UAPpDYSKOm
InChI InChI=1S/C22H22S2/c1-21-15-13-20(24-18-11-7-4-8-12-18)22(21,2)16-14-19(21)23-17-9-5-3-6-10-17/h3-14H,15-16H2,1-2H3/t21-,22-/m0/s1
InChIKey BSRHMUHUBJAMSK-VXKWHMMOSA-N
Mol Weight 350.54 g/mol
Molecular Formula C22H22S2
Exact Mass 350.116293 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KvPqZNfC3BX
Name 1,5-DIMETHYL-2,6-BIS-(PHENYLTHIO)-BICYCLO-[3.3.0]-OCTA-2,6-DIENE
CAS Registry Number 139462-71-8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H22S2
InChI InChI=1S/C22H22S2/c1-21-15-13-20(24-18-11-7-4-8-12-18)22(21,2)16-14-19(21)23-17-9-5-3-6-10-17/h3-14H,15-16H2,1-2H3/t21-,22-/m0/s1
InChIKey BSRHMUHUBJAMSK-VXKWHMMOSA-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 350.537 g/mol
Solvent CDCl3
Source File Reference UWCS8648