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PXAIJFSUGKGUQE-YBFBCAGJSA-M

View entire compound with spectra: 2 NMR

PXAIJFSUGKGUQE-YBFBCAGJSA-M
SpectraBase Compound ID EdztuYVArU7
InChI InChI=1S/C17H29N5PS.HI/c1-19-10-13-22-14-11-20(2)23(19,22,21(3)12-15-22)17(24-4)18-16-8-6-5-7-9-16;/h5-9H,10-15H2,1-4H3;1H/q+1;/p-1/b18-17-;
InChIKey PXAIJFSUGKGUQE-YBFBCAGJSA-M
Mol Weight 493.39 g/mol
Molecular Formula C17H29IN5PS
Exact Mass 493.092599 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bf3TX4JMInO
Name PXAIJFSUGKGUQE-YBFBCAGJSA-M
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H29IN5PS
InChI InChI=1S/C17H29N5PS.HI/c1-19-10-13-22-14-11-20(2)23(19,22,21(3)12-15-22)17(24-4)18-16-8-6-5-7-9-16;/h5-9H,10-15H2,1-4H3;1H/q+1;/p-1/b18-17-;
InChIKey PXAIJFSUGKGUQE-YBFBCAGJSA-M
Literature Reference Author J.TANG,T.MOHAN,J.G.VERKADE
Literature Reference Citation J.ORG.CHEM.,59,4931(1994)
Literature Reference DOI 10.1021/jo00096a041
Molecular Weight 493.389 g/mol
Solvent CD3CN
Source File Reference UWCP8012