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METHYL-6-(3-HEXYLTHIOBICYClO-[2.2.1]-HEPT-2-YL)-6-OXOHEXANOATE
SpectraBase Compound ID 8vh9Yt3RBQG
InChI InChI=1S/C20H34O3S/c1-3-4-5-8-13-24-20-16-12-11-15(14-16)19(20)17(21)9-6-7-10-18(22)23-2/h15-16,19-20H,3-14H2,1-2H3/t15-,16+,19+,20-/m0/s1
InChIKey ILDDFLSAYXJSDH-FIYPYCPBSA-N
Mol Weight 354.5 g/mol
Molecular Formula C20H34O3S
Exact Mass 354.222866 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ADLMouo7aJU
Name METHYL-6-(3-HEXYLTHIOBICYClO-[2.2.1]-HEPT-2-YL)-6-OXOHEXANOATE
Compound Number XV
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H34O3S
InChI InChI=1S/C20H34O3S/c1-3-4-5-8-13-24-20-16-12-11-15(14-16)19(20)17(21)9-6-7-10-18(22)23-2/h15-16,19-20H,3-14H2,1-2H3/t15-,16+,19+,20-/m0/s1
InChIKey ILDDFLSAYXJSDH-FIYPYCPBSA-N
Literature Reference Author N.F.BONDAR,L.P.ISAENYA,R.V.SKUPSKAYA,F.A.LAKHVICH
Literature Reference Citation RUSS.J.ORG.CHEM.,38,1749(2002)
Literature Reference DOI 10.1023/A:1022559428435
Molecular Weight 354.548 g/mol
Solvent CDCl3
Source File Reference UWMZ9801