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CIS-7-(4-PHENYL-2-OXOOXAZOLIDINYL)-8-OXO-3-(PHENYLTHIO)-1-AZABICYCLO-[4.2.0]-OCTANE-2-CARBOXYLIC-ACID-1,1-DIMETHYLETHYLESTER
SpectraBase Compound ID 9l4l0JFl9Y4
InChI InChI=1S/C27H30N2O5S/c1-27(2,3)34-25(31)23-21(35-18-12-8-5-9-13-18)15-14-19-22(24(30)28(19)23)29-20(16-33-26(29)32)17-10-6-4-7-11-17/h4-13,19-23H,14-16H2,1-3H3/t19-,20-,21?,22+,23?/m1/s1
InChIKey VXQQPTJZPFWQFM-QJBNJBRESA-N
Mol Weight 494.61 g/mol
Molecular Formula C27H30N2O5S
Exact Mass 494.187543 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3kXsmEsXmy7
Name CIS-7-(4-PHENYL-2-OXOOXAZOLIDINYL)-8-OXO-3-(PHENYLTHIO)-1-AZABICYCLO-[4.2.0]-OCTANE-2-CARBOXYLIC-ACID-1,1-DIMETHYLETHYLESTER
Compound Number 8E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H30N2O5S
InChI InChI=1S/C27H30N2O5S/c1-27(2,3)34-25(31)23-21(35-18-12-8-5-9-13-18)15-14-19-22(24(30)28(19)23)29-20(16-33-26(29)32)17-10-6-4-7-11-17/h4-13,19-23H,14-16H2,1-3H3/t19-,20-,21?,22+,23?/m1/s1
InChIKey VXQQPTJZPFWQFM-QJBNJBRESA-N
Literature Reference Author R.S.MILLER,D.W.HOARD,R.A.JOHNSON,W.D.LUKE
Literature Reference Citation J.ORG.CHEM.,59,3289(1994)
Literature Reference DOI 10.1021/jo00091a014
Molecular Weight 494.606 g/mol
Solvent CDCl3
Source File Reference UWCP2593