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1,5-DIMETHYL-3,7-BIS-(PHENYLSULFONYL)-TRICYCLO-[3.3.0.0(2,8)]-OCTA-3,6-DIENE
SpectraBase Compound ID 8g0yFs5aEbI
InChI InChI=1S/C22H20O4S2/c1-21-13-17(27(23,24)15-9-5-3-6-10-15)19-20(22(19,21)2)18(14-21)28(25,26)16-11-7-4-8-12-16/h3-14,19-20H,1-2H3/t19-,20+,21+,22-
InChIKey WFCOUZRHBLRWQZ-ZDNVTZCJSA-N
Mol Weight 412.52 g/mol
Molecular Formula C22H20O4S2
Exact Mass 412.080301 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GPcK6O0A3Qg
Name 1,5-DIMETHYL-3,7-BIS-(PHENYLSULFONYL)-TRICYCLO-[3.3.0.0(2,8)]-OCTA-3,6-DIENE
CAS Registry Number 139462-66-1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H20O4S2
InChI InChI=1S/C22H20O4S2/c1-21-13-17(27(23,24)15-9-5-3-6-10-15)19-20(22(19,21)2)18(14-21)28(25,26)16-11-7-4-8-12-16/h3-14,19-20H,1-2H3/t19-,20+,21+,22-
InChIKey WFCOUZRHBLRWQZ-ZDNVTZCJSA-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 412.518 g/mol
Solvent CDCl3
Source File Reference UWCS8672