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5-BENZYLOXY-6-[1,3]-DITHIAN-2-YL-3-HYDROXY-6-METHYL-HEPTANOIC-ACID-METHYLESTER
SpectraBase Compound ID IKb7eyTkSpN
InChI InChI=1S/C20H30O4S2/c1-20(2,19-25-10-7-11-26-19)17(12-16(21)13-18(22)23-3)24-14-15-8-5-4-6-9-15/h4-6,8-9,16-17,19,21H,7,10-14H2,1-3H3/t16-,17-/m0/s1
InChIKey UZQLAFRHRYWRIP-IRXDYDNUSA-N
Mol Weight 398.58 g/mol
Molecular Formula C20H30O4S2
Exact Mass 398.158552 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FpR1OQ0sG7W
Name 5-BENZYLOXY-6-[1,3]-DITHIAN-2-YL-3-HYDROXY-6-METHYL-HEPTANOIC-ACID-METHYLESTER
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H30O4S2
InChI InChI=1S/C20H30O4S2/c1-20(2,19-25-10-7-11-26-19)17(12-16(21)13-18(22)23-3)24-14-15-8-5-4-6-9-15/h4-6,8-9,16-17,19,21H,7,10-14H2,1-3H3/t16-,17-/m0/s1
InChIKey UZQLAFRHRYWRIP-IRXDYDNUSA-N
Literature Reference Author A.VAKALOPOULOS,T.F.J.LAMPE,H.M.R.HOFFMANN
Literature Reference Citation ORG.LETTERS,3,929(2001)
Literature Reference DOI 10.1021/ol015551o
Molecular Weight 398.576 g/mol
Solvent CDCl3
Source File Reference UWLU33764