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METHYL-6-(3-BUTYLTHIOBICYClO-[2.2.1]-HEPT-2-YL)-6-OXOHEXANOATE
SpectraBase Compound ID 5Ws6CCTcWvK
InChI InChI=1S/C18H30O3S/c1-3-4-11-22-18-14-10-9-13(12-14)17(18)15(19)7-5-6-8-16(20)21-2/h13-14,17-18H,3-12H2,1-2H3/t13-,14+,17+,18-/m0/s1
InChIKey BYMZEYOTMJJORW-JFTQMJAMSA-N
Mol Weight 326.5 g/mol
Molecular Formula C18H30O3S
Exact Mass 326.191566 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GPRzQgyT8Ki
Name METHYL-6-(3-BUTYLTHIOBICYClO-[2.2.1]-HEPT-2-YL)-6-OXOHEXANOATE
Compound Number XIV
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H30O3S
InChI InChI=1S/C18H30O3S/c1-3-4-11-22-18-14-10-9-13(12-14)17(18)15(19)7-5-6-8-16(20)21-2/h13-14,17-18H,3-12H2,1-2H3/t13-,14+,17+,18-/m0/s1
InChIKey BYMZEYOTMJJORW-JFTQMJAMSA-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 326.494 g/mol
Solvent CDCl3
Source File Reference UWMZ9800