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BENZYL-6-ALPHA-(DIPHENYL-PHOSPHATE)-OXYPENICILLANATE-SULFONE
SpectraBase Compound ID LUYRQ5bpi42
InChI InChI=1S/C27H26NO9PS/c1-27(2)23(26(30)34-18-19-12-6-3-7-13-19)28-24(29)22(25(28)39(27,32)33)37-38(31,35-20-14-8-4-9-15-20)36-21-16-10-5-11-17-21/h3-17,22-23,25H,18H2,1-2H3/t22-,23-,25+/m0/s1
InChIKey ITJAADJAIGNIGD-SONWIMMPSA-N
Mol Weight 571.54 g/mol
Molecular Formula C27H26NO9PS
Exact Mass 571.10659 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6oe4FfdR0fg
Name BENZYL-6-ALPHA-(DIPHENYL-PHOSPHATE)-OXYPENICILLANATE-SULFONE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H26NO9PS
InChI InChI=1S/C27H26NO9PS/c1-27(2)23(26(30)34-18-19-12-6-3-7-13-19)28-24(29)22(25(28)39(27,32)33)37-38(31,35-20-14-8-4-9-15-20)36-21-16-10-5-11-17-21/h3-17,22-23,25H,18H2,1-2H3/t22-,23-,25+/m0/s1
InChIKey ITJAADJAIGNIGD-SONWIMMPSA-N
Literature Reference Author M.LABORDE,G.PEZZENATI,P.YOVALDI,O.A.MASCARETTI,R.C.ROSSI,J.P .ROSSI
Literature Reference Citation BIOORG.MED.CHEM.,9,2113(2001)
Literature Reference DOI 10.1016/S0968-0896(01)00139-0
Molecular Weight 571.538 g/mol
Solvent CDCl3
Source File Reference UWMS22118