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KHJUGVBVOSFPKL-UHFFFAOYSA-M

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KHJUGVBVOSFPKL-UHFFFAOYSA-M
SpectraBase Compound ID HqUOiuXDCrM
InChI InChI=1S/C22H17N5O2S.Zn/c1-29-21(28)16-11-13-17(14-12-16)24-25-20(15-7-3-2-4-8-15)26-27-22-23-18-9-5-6-10-19(18)30-22;/h2-14H,1H3,(H,23,24,27,28);/q;+1/p-1
InChIKey KHJUGVBVOSFPKL-UHFFFAOYSA-M
Mol Weight 479.85 g/mol
Molecular Formula C22H16N5O2SZn
Exact Mass 478.031613 g/mol

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5DATnKTcZd9
Name KHJUGVBVOSFPKL-UHFFFAOYSA-M
Compound Number X-ZN
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H16N5O2SZn
InChI InChI=1S/C22H17N5O2S.Zn/c1-29-21(28)16-11-13-17(14-12-16)24-25-20(15-7-3-2-4-8-15)26-27-22-23-18-9-5-6-10-19(18)30-22;/h2-14H,1H3,(H,23,24,27,28);/q;+1/p-1
InChIKey KHJUGVBVOSFPKL-UHFFFAOYSA-M
Literature Reference Author A.V.KESSENIKH,L.V.SHMELEV
Literature Reference Citation CHEM.HET.COMP.,31,1112(1995)
Literature Reference DOI 10.1007/bf01165059
Solvent CDCl3
Source File Reference UWMZ13856