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BENZYL-6-ALPHA-[(METHANESULFONYL)-OXY]-PENICILLANATE-SULFONE
SpectraBase Compound ID 2tEz0XpWirq
InChI InChI=1S/C16H19NO8S2/c1-16(2)12(15(19)24-9-10-7-5-4-6-8-10)17-13(18)11(25-26(3,20)21)14(17)27(16,22)23/h4-8,11-12,14H,9H2,1-3H3/t11-,12-,14+/m1/s1
InChIKey VTFMQNWEFOVHGD-BZPMIXESSA-N
Mol Weight 417.45 g/mol
Molecular Formula C16H19NO8S2
Exact Mass 417.055209 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CkukZvX0Lq8
Name BENZYL-6-ALPHA-[(METHANESULFONYL)-OXY]-PENICILLANATE-SULFONE
Compound Number 18A1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H19NO8S2
InChI InChI=1S/C16H19NO8S2/c1-16(2)12(15(19)24-9-10-7-5-4-6-8-10)17-13(18)11(25-26(3,20)21)14(17)27(16,22)23/h4-8,11-12,14H,9H2,1-3H3/t11-,12-,14+/m1/s1
InChIKey VTFMQNWEFOVHGD-BZPMIXESSA-N
Literature Reference Author C.E.BOSCHETTI,E.G.MATA,O.A.MASCARETTI,J.A.CRICCO,G.COUX,A.LO DEYRO,O.A.ROVERI
Literature Reference Citation J.BRAZ.CHEM.SOC.,7,285(1996)
Literature Reference DOI 10.5935/0103-5053.19960057
Molecular Weight 417.449 g/mol
Solvent CDCl3
Source File Reference UWPA1172