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YYBCNXQENILALI-UHFFFAOYSA-N
SpectraBase Compound ID HgwNPWMDByT
InChI InChI=1S/C21H23N5O/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 YYBCNXQENILALI-UHFFFAOYSA-N
Mol Weight 361.45 g/mol
Molecular Formula C21H23N5O
Exact Mass 361.19026 g/mol

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4kdoGCoG4b5
Name YYBCNXQENILALI-UHFFFAOYSA-N
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H23N5O
InChI InChI=1S/C21H23N5O/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 YYBCNXQENILALI-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 UWRK3887