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BENZYL-6-ALPHA-[(PARA-TOLUENESULFONYL)-OXY]-PENICILLANATE
SpectraBase Compound ID 17Utl9T4YrI
InChI InChI=1S/C22H23NO6S2/c1-14-9-11-16(12-10-14)31(26,27)29-17-19(24)23-18(22(2,3)30-20(17)23)21(25)28-13-15-7-5-4-6-8-15/h4-12,17-18,20H,13H2,1-3H3/t17-,18-,20+/m0/s1
InChIKey KFQSDSASRAMAJG-CMKODMSKSA-N
Mol Weight 461.55 g/mol
Molecular Formula C22H23NO6S2
Exact Mass 461.09668 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ke1aUZ8SphB
Name BENZYL-6-ALPHA-[(PARA-TOLUENESULFONYL)-OXY]-PENICILLANATE
Compound Number 17A3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H23NO6S2
InChI InChI=1S/C22H23NO6S2/c1-14-9-11-16(12-10-14)31(26,27)29-17-19(24)23-18(22(2,3)30-20(17)23)21(25)28-13-15-7-5-4-6-8-15/h4-12,17-18,20H,13H2,1-3H3/t17-,18-,20+/m0/s1
InChIKey KFQSDSASRAMAJG-CMKODMSKSA-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 461.548 g/mol
Solvent CDCl3
Source File Reference UWPA1170