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1-(1-ADAMANTYL)-3-PHENYL-4-(PARA-BROMOPHENYL)-1,2,4-TRIAZOL-5-YLIDENE
SpectraBase Compound ID BdK6Q6541U4
InChI InChI=1S/C24H26BrN3/c25-21-6-8-22(9-7-21)27-16-28(26-23(27)20-4-2-1-3-5-20)24-13-17-10-18(14-24)12-19(11-17)15-24/h1-9,17-19H,10-16H2/t17-,18+,19-,24-
InChIKey XVJSOSASQGOXHR-PCFUMONKSA-N
Mol Weight 436.4 g/mol
Molecular Formula C24H26BrN3
Exact Mass 435.131011 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9OsUNiZ5Crm
Name 1-(1-ADAMANTYL)-3-PHENYL-4-(PARA-BROMOPHENYL)-1,2,4-TRIAZOL-5-YLIDENE
Compound Number 2B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H26BrN3
InChI InChI=1S/C24H26BrN3/c25-21-6-8-22(9-7-21)27-16-28(26-23(27)20-4-2-1-3-5-20)24-13-17-10-18(14-24)12-19(11-17)15-24/h1-9,17-19H,10-16H2/t17-,18+,19-,24-
InChIKey XVJSOSASQGOXHR-PCFUMONKSA-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 436.395 g/mol
Solvent C6D6
Source File Reference UWLU24290