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4-(2',3'-DIACETOXYPROPYLIDEN)-2-TOSYL-2,3,4,6-TETRAHYDRO-1H-CYCLOPENTA-[C]-PYRROLE-5-ONE
SpectraBase Compound ID DabYTIwI646
InChI InChI=1S/C21H23NO8S/c1-13-4-6-18(7-5-13)31(26,27)30-22-10-16-8-21(25)19(20(16)11-22)9-17(29-15(3)24)12-28-14(2)23/h4-7,9,17H,8,10-12H2,1-3H3/b19-9+/t17-/m0/s1
InChIKey AJYNUOTXGYQRDV-IFQVXRHPSA-N
Mol Weight 449.47 g/mol
Molecular Formula C21H23NO8S
Exact Mass 449.114438 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FWJmlZHrZTa
Name 4-(2',3'-DIACETOXYPROPYLIDEN)-2-TOSYL-2,3,4,6-TETRAHYDRO-1H-CYCLOPENTA-[C]-PYRROLE-5-ONE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H23NO8S
InChI InChI=1S/C21H23NO8S/c1-13-4-6-18(7-5-13)31(26,27)30-22-10-16-8-21(25)19(20(16)11-22)9-17(29-15(3)24)12-28-14(2)23/h4-7,9,17H,8,10-12H2,1-3H3/b19-9+/t17-/m0/s1
InChIKey AJYNUOTXGYQRDV-IFQVXRHPSA-N
Literature Reference Author P.ARECES,M.A.DURAN,J.PLUMET,M.B.HURSTHOUSE,M.E.LIGHT
Literature Reference Citation J.ORG.CHEM.,67,3506(2002)
Literature Reference DOI 10.1021/jo011129+
Molecular Weight 449.476 g/mol
Solvent CDCl3
Source File Reference UWLU25689