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WSARDBLTAJBAFU-UHFFFAOYSA-M

View entire compound with spectra: 8 NMR

WSARDBLTAJBAFU-UHFFFAOYSA-M
SpectraBase Compound ID ES4CtXXiP5d
InChI InChI=1S/C26H31B2F2O5PS2.C16H36N.FH/c1-23(2)24(3,4)33-27(29,32-23)19-14-17-21(37-19)22-18(36(17,31)16-12-10-9-11-13-16)15-20(38-22)28(30)34-25(5,6)26(7,8)35-28;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h9-15H,1-8H3;5-16H2,1-4H3;1H/q-2;+1;/p-1
InChIKey WSARDBLTAJBAFU-UHFFFAOYSA-M
Mol Weight 839.7 g/mol
Molecular Formula C42H67B2F3NO5PS2
Exact Mass 839.433648 g/mol

17O Nuclear Magnetic Resonance (NMR) Chemical Shifts

17O Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J9ouvP9Kupq
Name 2-methyl-4,8-di(phenyl)-1$l^{4}-thia-2,3,7,8-tetrazabicyclo[3.3.0]octa-1(5),3,6-triene
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H67B2F3NO5PS2
InChI InChI=1S/C26H31B2F2O5PS2.C16H36N.FH/c1-23(2)24(3,4)33-27(29,32-23)19-14-17-21(37-19)22-18(36(17,31)16-12-10-9-11-13-16)15-20(38-22)28(30)34-25(5,6)26(7,8)35-28;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h9-15H,1-8H3;5-16H2,1-4H3;1H/q-2;+1;/p-1
InChIKey WSARDBLTAJBAFU-UHFFFAOYSA-M
Literature Reference Author T.NEUMANN,Y.DIENES,T.BAUMGARTNER
Literature Reference Citation ORG.LETTERS,8,495(2006)
Literature Reference DOI 10.1021/ol052911p
Solvent CDCl3
Source File Reference UWLU58384