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(PIVALOYLOXY)-METHYL-6-ALPHA-[(PARA-TOLUENESULFONYL)-OXY]-PENICILLANATE-SULFONE
SpectraBase Compound ID 3Ctkc7pBqs4
InChI InChI=1S/C21H27NO10S2/c1-12-7-9-13(10-8-12)34(28,29)32-14-16(23)22-15(21(5,6)33(26,27)17(14)22)18(24)30-11-31-19(25)20(2,3)4/h7-10,14-15,17H,11H2,1-6H3/t14-,15-,17+/m1/s1
InChIKey NEQGXTDPLDHZMS-INMHGKMJSA-N
Mol Weight 517.56 g/mol
Molecular Formula C21H27NO10S2
Exact Mass 517.107638 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9ElZgPP47HR
Name (PIVALOYLOXY)-METHYL-6-ALPHA-[(PARA-TOLUENESULFONYL)-OXY]-PENICILLANATE-SULFONE
Compound Number 18B3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H27NO10S2
InChI InChI=1S/C21H27NO10S2/c1-12-7-9-13(10-8-12)34(28,29)32-14-16(23)22-15(21(5,6)33(26,27)17(14)22)18(24)30-11-31-19(25)20(2,3)4/h7-10,14-15,17H,11H2,1-6H3/t14-,15-,17+/m1/s1
InChIKey NEQGXTDPLDHZMS-INMHGKMJSA-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 517.566 g/mol
Solvent CDCl3
Source File Reference UWPA1177