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METHYL-6-(3-OCTYLTHIOBICYClO-[2.2.1]-HEPT-2-YL)-6-OXOHEXANOATE
SpectraBase Compound ID 4DEhYhljvrU
InChI InChI=1S/C22H38O3S/c1-3-4-5-6-7-10-15-26-22-18-14-13-17(16-18)21(22)19(23)11-8-9-12-20(24)25-2/h17-18,21-22H,3-16H2,1-2H3/t17-,18+,21+,22-/m0/s1
InChIKey JCPVVEVVGAGSGY-KKXYHZGYSA-N
Mol Weight 382.6 g/mol
Molecular Formula C22H38O3S
Exact Mass 382.254166 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lf044xlErXW
Name METHYL-6-(3-OCTYLTHIOBICYClO-[2.2.1]-HEPT-2-YL)-6-OXOHEXANOATE
Compound Number XVII
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H38O3S
InChI InChI=1S/C22H38O3S/c1-3-4-5-6-7-10-15-26-22-18-14-13-17(16-18)21(22)19(23)11-8-9-12-20(24)25-2/h17-18,21-22H,3-16H2,1-2H3/t17-,18+,21+,22-/m0/s1
InChIKey JCPVVEVVGAGSGY-KKXYHZGYSA-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 382.602 g/mol
Solvent CDCl3
Source File Reference UWMZ9802