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RDAUCIGUXUIGDM-UHFFFAOYSA-N
SpectraBase Compound ID 720V3MBQeeu
InChI InChI=1S/C21H23N5S/c27-21(22-17-10-4-1-5-11-17)23-20-16-25(18-12-6-2-7-13-18)24-26(20)19-14-8-3-9-15-19/h1,3-5,8-11,14-16,18H,2,6-7,12-13H2,(H-,22,23,24,27)
InChIKey RDAUCIGUXUIGDM-UHFFFAOYSA-N
Mol Weight 377.51 g/mol
Molecular Formula C21H23N5S
Exact Mass 377.167417 g/mol

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6mCwQk5RQ1w
Name RDAUCIGUXUIGDM-UHFFFAOYSA-N
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H23N5S
InChI InChI=1S/C21H23N5S/c27-21(22-17-10-4-1-5-11-17)23-20-16-25(18-12-6-2-7-13-18)24-26(20)19-14-8-3-9-15-19/h1,3-5,8-11,14-16,18H,2,6-7,12-13H2,(H-,22,23,24,27)
InChIKey RDAUCIGUXUIGDM-UHFFFAOYSA-N
Literature Reference Author W.BOCIAN,J.W.WIENCH,L.STEFANIAK,G.A.WEBB
Literature Reference Citation MAGN.RES.CHEM.,34,453(1996)
Literature Reference DOI 10.1002/(sici)1097-458x(199606)34:6<453::aid-omr884>3.0.co;2-z
Solvent DMSO-D6
Source File Reference UWRK3885