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METHYL-7-(3-HEXYLTHIOBICYClO-[2.2.1]-HEPT-2-YL)-7-OXOHEPTANOATE
SpectraBase Compound ID L1Phr3F1Hja
InChI InChI=1S/C21H36O3S/c1-3-4-5-9-14-25-21-17-13-12-16(15-17)20(21)18(22)10-7-6-8-11-19(23)24-2/h16-17,20-21H,3-15H2,1-2H3/t16-,17+,20+,21-/m0/s1
InChIKey KIJZOBQXBUFBTN-NLEAXPPASA-N
Mol Weight 368.6 g/mol
Molecular Formula C21H36O3S
Exact Mass 368.238516 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GImJeeQ1GwT
Name METHYL-7-(3-HEXYLTHIOBICYClO-[2.2.1]-HEPT-2-YL)-7-OXOHEPTANOATE
Compound Number XVI
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H36O3S
InChI InChI=1S/C21H36O3S/c1-3-4-5-9-14-25-21-17-13-12-16(15-17)20(21)18(22)10-7-6-8-11-19(23)24-2/h16-17,20-21H,3-15H2,1-2H3/t16-,17+,20+,21-/m0/s1
InChIKey KIJZOBQXBUFBTN-NLEAXPPASA-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 368.575 g/mol
Solvent CDCl3
Source File Reference UWMZ9806