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GISXREIHKHVVGW-UHFFFAOYSA-M

View entire compound with spectra: 4 NMR

GISXREIHKHVVGW-UHFFFAOYSA-M
SpectraBase Compound ID 3lNTpcNJj7X
InChI InChI=1S/C21H18N3S.HI/c1-25-21-22-24(19-15-9-4-10-16-19)20(17-11-5-2-6-12-17)23(21)18-13-7-3-8-14-18;/h2-16H,1H3;1H/q+1;/p-1
InChIKey GISXREIHKHVVGW-UHFFFAOYSA-M
Mol Weight 471.36 g/mol
Molecular Formula C21H18IN3S
Exact Mass 471.026614 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6e8PzI1Nu8i
Name GISXREIHKHVVGW-UHFFFAOYSA-M
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H18IN3S
InChI InChI=1S/C21H18N3S.HI/c1-25-21-22-24(19-15-9-4-10-16-19)20(17-11-5-2-6-12-17)23(21)18-13-7-3-8-14-18;/h2-16H,1H3;1H/q+1;/p-1
InChIKey GISXREIHKHVVGW-UHFFFAOYSA-M
Literature Reference Author W.BOCIAN,J.JAZWINSKI,L.STEFANIAK,G.A.WEBB
Literature Reference Citation MAGN.RES.CHEM.,33,134(1995)
Literature Reference DOI 10.1002/mrc.1260330209
Molecular Weight 471.359 g/mol
Solvent DMSO-D6