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DIMETHYL-5-PHENYLTHIO-10-ACETOXY-TETRACYCLO-[4.4.0.0(2,4).0(3,7)]-DECA-8-ENE-8,9-DICARBOXYLATE
SpectraBase Compound ID LVUzVFhPmtD
InChI InChI=1S/C22H22O6S/c1-9(23)28-19-14-12-11-13(17(21(24)26-2)18(19)22(25)27-3)16(14)20(15(11)12)29-10-7-5-4-6-8-10/h4-8,11-16,19-20H,1-3H3/t11-,12+,13+,14-,15+,16-,19+,20+/m1/s1
InChIKey ZVYPBWKAKAYWJE-MJOCOZDUSA-N
Mol Weight 414.47 g/mol
Molecular Formula C22H22O6S
Exact Mass 414.11371 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9gltWqfhvAg
Name DIMETHYL-5-PHENYLTHIO-10-ACETOXY-TETRACYCLO-[4.4.0.0(2,4).0(3,7)]-DECA-8-ENE-8,9-DICARBOXYLATE
Compound Number 4 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H22O6S
InChI InChI=1S/C22H22O6S/c1-9(23)28-19-14-12-11-13(17(21(24)26-2)18(19)22(25)27-3)16(14)20(15(11)12)29-10-7-5-4-6-8-10/h4-8,11-16,19-20H,1-3H3/t11-,12+,13+,14-,15+,16-,19+,20+/m1/s1
InChIKey ZVYPBWKAKAYWJE-MJOCOZDUSA-N
Literature Reference Author D.G.GARRATT,M.D.RYAN,A.KABO
Literature Reference Citation CAN.J.CHEM.,58,2329(1980)
Literature Reference DOI 10.1139/v80-376
Molecular Weight 414.473 g/mol
Solvent Unknown
Source File Reference UWED4703