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(1S,5S,6S,8S)-8-BENZYLOXY-5-(IMIDAZOLYLTHIOCARBONYL)-OXY-2,2,6-TRIMETHYL-3-OXABICYCLO-[4.2.0]-OCTANE
SpectraBase Compound ID 7YlvMvOJDdB
InChI InChI=1S/C21H26N2O3S/c1-20(2)18-16(24-12-15-7-5-4-6-8-15)11-21(18,3)17(13-25-20)26-19(27)23-10-9-22-14-23/h4-10,14,16-18H,11-13H2,1-3H3/t16-,17+,18-,21+/m0/s1
InChIKey MGEZBLUDCRBEDV-TWFHAPMSSA-N
Mol Weight 386.51 g/mol
Molecular Formula C21H26N2O3S
Exact Mass 386.166414 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ELa3h1r86Ee
Name (1S,5S,6S,8S)-8-BENZYLOXY-5-(IMIDAZOLYLTHIOCARBONYL)-OXY-2,2,6-TRIMETHYL-3-OXABICYCLO-[4.2.0]-OCTANE
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H26N2O3S
InChI InChI=1S/C21H26N2O3S/c1-20(2)18-16(24-12-15-7-5-4-6-8-15)11-21(18,3)17(13-25-20)26-19(27)23-10-9-22-14-23/h4-10,14,16-18H,11-13H2,1-3H3/t16-,17+,18-,21+/m0/s1
InChIKey MGEZBLUDCRBEDV-TWFHAPMSSA-N
Literature Reference Author R.ALIBES,P.D.MARCH,M.FIGUEREDO,J.FONT,M.RACAMONDE,T.PARELLA
Literature Reference Citation ORG.LETTERS,6,1449(2004)
Literature Reference DOI 10.1021/ol0497032
Molecular Weight 386.509 g/mol
Sample ID 50308
Solvent CDCl3