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1-(1-ADAMANTYL)-3,4-DI-(PARA-BROMOPHENYL)-1,2,4-TRIAZOL-5-SELENONE
SpectraBase Compound ID Q46ZuHvqQG
InChI InChI=1S/C24H23Br2N3Se/c25-19-3-1-18(2-4-19)22-27-29(23(30)28(22)21-7-5-20(26)6-8-21)24-12-15-9-16(13-24)11-17(10-15)14-24/h1-8,15-17H,9-14H2/t15-,16+,17-,24-
InChIKey UXHLYZCWZSCZFE-ONHXBKDTSA-N
Mol Weight 592.25 g/mol
Molecular Formula C24H23Br2N3Se
Exact Mass 590.942396 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6yEdsxLw9rp
Name 1-(1-ADAMANTYL)-3,4-DI-(PARA-BROMOPHENYL)-1,2,4-TRIAZOL-5-SELENONE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H23Br2N3Se
InChI InChI=1S/C24H23Br2N3Se/c25-19-3-1-18(2-4-19)22-27-29(23(30)28(22)21-7-5-20(26)6-8-21)24-12-15-9-16(13-24)11-17(10-15)14-24/h1-8,15-17H,9-14H2/t15-,16+,17-,24-
InChIKey UXHLYZCWZSCZFE-ONHXBKDTSA-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 592.235 g/mol
Solvent CDCl3
Source File Reference UWLU24295