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KMLWWDYFHNYXLQ-YVDGFICZSA-N

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KMLWWDYFHNYXLQ-YVDGFICZSA-N
SpectraBase Compound ID CDSfE4Rd6TK
InChI InChI=1S/C22H27N5S/c1-3-5-9-17-13-15-18(16-14-17)24-25-21(12-6-4-2)26-27-22-23-19-10-7-8-11-20(19)28-22/h7-8,10-11,13-16H,3-6,9,12H2,1-2H3,(H,23,27)/b25-24+,26-21+
InChIKey KMLWWDYFHNYXLQ-YVDGFICZSA-N
Mol Weight 393.55 g/mol
Molecular Formula C22H27N5S
Exact Mass 393.198717 g/mol

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LnAURO5xipy
Name KMLWWDYFHNYXLQ-YVDGFICZSA-N
Compound Number XI
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H27N5S
InChI InChI=1S/C22H27N5S/c1-3-5-9-17-13-15-18(16-14-17)24-25-21(12-6-4-2)26-27-22-23-19-10-7-8-11-20(19)28-22/h7-8,10-11,13-16H,3-6,9,12H2,1-2H3,(H,23,27)/b25-24+,26-21+
InChIKey KMLWWDYFHNYXLQ-YVDGFICZSA-N
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 UWMZ13840