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METHYL_7-(3-OCTYLTHIOBICYClO-[2.2.1]-HEPT-2-YL)-7-OXOHEPTANOATE
SpectraBase Compound ID LCC23qz6qvK
InChI InChI=1S/C23H40O3S/c1-3-4-5-6-7-11-16-27-23-19-15-14-18(17-19)22(23)20(24)12-9-8-10-13-21(25)26-2/h18-19,22-23H,3-17H2,1-2H3/t18-,19+,22+,23-/m0/s1
InChIKey VAXLGJNVBOHAQZ-CSGUBPAMSA-N
Mol Weight 396.6 g/mol
Molecular Formula C23H40O3S
Exact Mass 396.269816 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HYe5qVD8cWQ
Name METHYL_7-(3-OCTYLTHIOBICYClO-[2.2.1]-HEPT-2-YL)-7-OXOHEPTANOATE
Compound Number XVIII
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H40O3S
InChI InChI=1S/C23H40O3S/c1-3-4-5-6-7-11-16-27-23-19-15-14-18(17-19)22(23)20(24)12-9-8-10-13-21(25)26-2/h18-19,22-23H,3-17H2,1-2H3/t18-,19+,22+,23-/m0/s1
InChIKey VAXLGJNVBOHAQZ-CSGUBPAMSA-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 396.629 g/mol
Solvent CDCl3
Source File Reference UWMZ9807