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ETHYL-[(3E),6R,8S]-8-ACETOXYMETHYL-3-(BUT-3-EN-YLIDENE)-6-(FURAN-3-YL-METHYL)-2-OXO-4-THIA-1-AZA-BICYCLO-[3.3.0]-OCTANE-6-CARBOXYLATE
SpectraBase Compound ID KWlu9vPGyOz
InChI InChI=1S/C21H25NO6S/c1-4-6-7-17-18(24)22-16(13-28-14(3)23)11-21(19(22)29-17,20(25)27-5-2)10-15-8-9-26-12-15/h4,7-9,12,16,19H,1,5-6,10-11,13H2,2-3H3/b17-7+/t16-,19?,21-/m0/s1
InChIKey JRJCYWOUAZUDEI-JDKXYAANSA-N
Mol Weight 419.49 g/mol
Molecular Formula C21H25NO6S
Exact Mass 419.140259 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EuGYApalznj
Name ETHYL-[(3E),6R,8S]-8-ACETOXYMETHYL-3-(BUT-3-EN-YLIDENE)-6-(FURAN-3-YL-METHYL)-2-OXO-4-THIA-1-AZA-BICYCLO-[3.3.0]-OCTANE-6-CARBOXYLATE
Compound Number 22
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H25NO6S
InChI InChI=1S/C21H25NO6S/c1-4-6-7-17-18(24)22-16(13-28-14(3)23)11-21(19(22)29-17,20(25)27-5-2)10-15-8-9-26-12-15/h4,7-9,12,16,19H,1,5-6,10-11,13H2,2-3H3/b17-7+/t16-,19?,21-/m0/s1
InChIKey JRJCYWOUAZUDEI-JDKXYAANSA-N
Literature Reference Author J.K.CHAVDA,P.A.PROCOPIOU,P.N.HORTON,S.J.COLES,M.J.PORTER
Literature Reference Citation EUR.J.ORG.CHEM.,2014,129(2014)
Literature Reference DOI 10.1002/ejoc.201301063
Molecular Weight 419.493 g/mol
Solvent CDCl3
Source File Reference UWIR18173