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1-(1-ADAMANTYL)-3,4-DI-(PARA-BROMOPHENYL)-1,2,4-TRIAZOL-5-YLIDENE
SpectraBase Compound ID ANobnr4ejZB
InChI InChI=1S/C24H25Br2N3/c25-20-3-1-19(2-4-20)23-27-29(15-28(23)22-7-5-21(26)6-8-22)24-12-16-9-17(13-24)11-18(10-16)14-24/h1-8,16-18H,9-15H2/t16-,17+,18-,24-
InChIKey FLAFUTCRECXSQL-OXLXHMEASA-N
Mol Weight 515.29 g/mol
Molecular Formula C24H25Br2N3
Exact Mass 513.041524 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9ZBtxJG7BJG
Name 1-(1-ADAMANTYL)-3,4-DI-(PARA-BROMOPHENYL)-1,2,4-TRIAZOL-5-YLIDENE
Compound Number 2D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H25Br2N3
InChI InChI=1S/C24H25Br2N3/c25-20-3-1-19(2-4-20)23-27-29(15-28(23)22-7-5-21(26)6-8-22)24-12-16-9-17(13-24)11-18(10-16)14-24/h1-8,16-18H,9-15H2/t16-,17+,18-,24-
InChIKey FLAFUTCRECXSQL-OXLXHMEASA-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 515.291 g/mol
Solvent C6D6
Source File Reference UWLU24292