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ENDO-3-AZA-3-(3-N-PROPYL-1,3,2-OXAZAPHOSPHORYL)-2-OXO-2-THIABICYCLO-[2.2.2]-OCT-5-ENE;MAJOR-ISOMER
SpectraBase Compound ID XckddU21iG
InChI InChI=1S/C12H21N2O3PS/c1-2-8-13-9-3-10-17-18(13,15)14-11-4-6-12(7-5-11)19(14)16/h4,6,11-12H,2-3,5,7-10H2,1H3/t11-,12+,18?,19?/m1/s1
InChIKey RXFPWDHIYQDVLZ-FTBCQYCESA-N
Mol Weight 304.34 g/mol
Molecular Formula C12H21N2O3PS
Exact Mass 304.101051 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3EWscHxrJlL
Name ENDO-3-AZA-3-(3-N-PROPYL-1,3,2-OXAZAPHOSPHORYL)-2-OXO-2-THIABICYCLO-[2.2.2]-OCT-5-ENE;MINOR-ISOMER
Compound Number 7E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H21N2O3PS
InChI InChI=1S/C12H21N2O3PS/c1-2-8-13-9-3-10-17-18(13,15)14-11-4-6-12(7-5-11)19(14)16/h4,6,11-12H,2-3,5,7-10H2,1H3/t11-,12+,18?,19?/m1/s1
InChIKey RXFPWDHIYQDVLZ-FTBCQYCESA-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 UWSI27928