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ENDO-3-AZA-3-(3-TERT.-BUTYL-1,3,2-OXAZAPHOSPHORYL)-2-OXO-2-THIABICYCLO-[2.2.2]-OCT-5-ENE;MAJOR-ISOMER
SpectraBase Compound ID GtQbMw5LHjG
InChI InChI=1S/C13H23N2O3PS/c1-13(2,3)14-9-4-10-18-19(14,16)15-11-5-7-12(8-6-11)20(15)17/h5,7,11-12H,4,6,8-10H2,1-3H3/t11-,12+,19?,20?/m1/s1
InChIKey JAIPRULUCRLRHV-CVFNZVRXSA-N
Mol Weight 318.37 g/mol
Molecular Formula C13H23N2O3PS
Exact Mass 318.116701 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3f8xjBdnt8N
Name ENDO-3-AZA-3-(3-TERT.-BUTYL-1,3,2-OXAZAPHOSPHORYL)-2-OXO-2-THIABICYCLO-[2.2.2]-OCT-5-ENE;MAJOR-ISOMER
Compound Number 7F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H23N2O3PS
InChI InChI=1S/C13H23N2O3PS/c1-13(2,3)14-9-4-10-18-19(14,16)15-11-5-7-12(8-6-11)20(15)17/h5,7,11-12H,4,6,8-10H2,1-3H3/t11-,12+,19?,20?/m1/s1
InChIKey JAIPRULUCRLRHV-CVFNZVRXSA-N
Literature Reference Author Y.ZHANG,C.J.FLANN
Literature Reference Citation J.ORG.CHEM.,63,1372(1998)
Literature Reference DOI 10.1021/jo970186t
Solvent CDCl3
Source File Reference UWSI27929