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1-(1-ADAMANTYL)-3,4-DIPHENYL-5-CYANOMETHYL-5H-1,2,4-TRIAZOLINE
SpectraBase Compound ID 57KxmpJnXdA
InChI InChI=1S/C26H28N4/c27-12-11-24-29(23-9-5-2-6-10-23)25(22-7-3-1-4-8-22)28-30(24)26-16-19-13-20(17-26)15-21(14-19)18-26/h1-10,19-21,24H,11,13-18H2/t19-,20+,21-,24?,26-
InChIKey SMBSGPZFLVYOMH-NLROUWKCSA-N
Mol Weight 396.54 g/mol
Molecular Formula C26H28N4
Exact Mass 396.231397 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4bt5k5PEpOF
Name 1-(1-ADAMANTYL)-3,4-DIPHENYL-5-CYANOMETHYL-5H-1,2,4-TRIAZOLINE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H28N4
InChI InChI=1S/C26H28N4/c27-12-11-24-29(23-9-5-2-6-10-23)25(22-7-3-1-4-8-22)28-30(24)26-16-19-13-20(17-26)15-21(14-19)18-26/h1-10,19-21,24H,11,13-18H2/t19-,20+,21-,24?,26-
InChIKey SMBSGPZFLVYOMH-NLROUWKCSA-N
Literature Reference Author N.I.KOROTKIKH,G.F.RAYENKO,O.P.SHAIKA,T.M.PEKHTEREVA,A.H.COWL EY,J.N.JONES,C.L.B.M
Literature Reference Citation J.ORG.CHEM.,68,5762(2003)
Literature Reference DOI 10.1021/jo034234n
Molecular Weight 396.535 g/mol
Solvent CD3CN
Source File Reference UWLU24293