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OSXQCAQBHDQNAV-UHFFFAOYSA-N
SpectraBase Compound ID Ad30XfFZiHr
InChI InChI=1S/C22H26N6O3S.2BF4/c1-5-30-19-21(25(3)23-27(19)17-13-9-7-10-14-17)32(29)22-20(31-6-2)28(24-26(22)4)18-15-11-8-12-16-18;2*2-1(3,4)5/h7-16H,5-6H2,1-4H3;;/q+2;2*-1
InChIKey OSXQCAQBHDQNAV-UHFFFAOYSA-N
Mol Weight 628.2 g/mol
Molecular Formula C22H26B2F8N6O3S
Exact Mass 628.184546 g/mol

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HYex1kbz1Yi
Name OSXQCAQBHDQNAV-UHFFFAOYSA-N
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H26B2F8N6O3S
InChI InChI=1S/C22H26N6O3S.2BF4/c1-5-30-19-21(25(3)23-27(19)17-13-9-7-10-14-17)32(29)22-20(31-6-2)28(24-26(22)4)18-15-11-8-12-16-18;2*2-1(3,4)5/h7-16H,5-6H2,1-4H3;;/q+2;2*-1
InChIKey OSXQCAQBHDQNAV-UHFFFAOYSA-N
Literature Reference Author W.BOCIAN,J.W.WIENCH,L.STEFANIAK,G.A.WEBB
Literature Reference Citation MAGN.RES.CHEM.,34,453(1996)
Literature Reference DOI 10.1002/(sici)1097-458x(199606)34:6<453::aid-omr884>3.0.co;2-z
Solvent CDCl3
Source File Reference UWRK3882