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JTAOBMQZNLRNPG-UHFFFAOYSA-N

View entire compound with spectra: 6 NMR

JTAOBMQZNLRNPG-UHFFFAOYSA-N
SpectraBase Compound ID A1r0yPjHuFe
InChI InChI=1S/C20H17N5O2S/c1-16-12-14-19(15-13-16)28(26,27)23-20-21-24(17-8-4-2-5-9-17)25(22-20)18-10-6-3-7-11-18/h2-15H,1H3
InChIKey JTAOBMQZNLRNPG-UHFFFAOYSA-N
Mol Weight 391.45 g/mol
Molecular Formula C20H17N5O2S
Exact Mass 391.110296 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cv9RghGjRJ
Name JTAOBMQZNLRNPG-UHFFFAOYSA-N
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H17N5O2S
InChI InChI=1S/C20H17N5O2S/c1-16-12-14-19(15-13-16)28(26,27)23-20-21-24(17-8-4-2-5-9-17)25(22-20)18-10-6-3-7-11-18/h2-15H,1H3
InChIKey JTAOBMQZNLRNPG-UHFFFAOYSA-N
Literature Reference Author W.KOZMINSKI,J.JAZWINSKI,L.STEFANIAK
Literature Reference Citation MAGN.RES.CHEM.,31,200(1993)
Literature Reference DOI 10.1002/mrc.1260310209
Molecular Weight 391.447 g/mol
Solvent DMSO-D6
Source File Reference UWVP5240