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BENZYL-6-ALPHA-[(TRIFLUOROMETHANESULFONYL)-OXY]-PENICILLANATE
SpectraBase Compound ID BgOMcdyp1xb
InChI InChI=1S/C16H16F3NO6S2/c1-15(2)11(14(22)25-8-9-6-4-3-5-7-9)20-12(21)10(13(20)27-15)26-28(23,24)16(17,18)19/h3-7,10-11,13H,8H2,1-2H3/t10-,11-,13+/m0/s1
InChIKey VGJROQHZJHVCOI-GMXVVIOVSA-N
Mol Weight 439.42 g/mol
Molecular Formula C16H16F3NO6S2
Exact Mass 439.037114 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KHXKJqHuTLV
Name BENZYL-6-ALPHA-[(TRIFLUOROMETHANESULFONYL)-OXY]-PENICILLANATE
Compound Number 17A2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H16F3NO6S2
InChI InChI=1S/C16H16F3NO6S2/c1-15(2)11(14(22)25-8-9-6-4-3-5-7-9)20-12(21)10(13(20)27-15)26-28(23,24)16(17,18)19/h3-7,10-11,13H,8H2,1-2H3/t10-,11-,13+/m0/s1
InChIKey VGJROQHZJHVCOI-GMXVVIOVSA-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 439.421 g/mol
Solvent CDCl3
Source File Reference UWPA1168