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1,5-DIMETHYL-2,6-BIS-(PHENYLSULFONYL)-BICYCLO-[3.3.0]-OCTA-2,6-DIENE
SpectraBase Compound ID LZQ2OiZODjg
InChI InChI=1S/C22H22O4S2/c1-21-15-13-20(28(25,26)18-11-7-4-8-12-18)22(21,2)16-14-19(21)27(23,24)17-9-5-3-6-10-17/h3-14H,15-16H2,1-2H3/t21-,22-/m0/s1
InChIKey DJFHTKBRNOQLSI-VXKWHMMOSA-N
Mol Weight 414.53 g/mol
Molecular Formula C22H22O4S2
Exact Mass 414.095952 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H0F85znwzX2
Name 1,5-DIMETHYL-2,6-BIS-(PHENYLSULFONYL)-BICYCLO-[3.3.0]-OCTA-2,6-DIENE
CAS Registry Number 139462-80-9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H22O4S2
InChI InChI=1S/C22H22O4S2/c1-21-15-13-20(28(25,26)18-11-7-4-8-12-18)22(21,2)16-14-19(21)27(23,24)17-9-5-3-6-10-17/h3-14H,15-16H2,1-2H3/t21-,22-/m0/s1
InChIKey DJFHTKBRNOQLSI-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 414.534 g/mol
Solvent CDCl3
Source File Reference UWCS8650