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2,9-BIS-(1-ADAMANTYL)-5,6,12,13-TETRAHYDRO-[1,2-A:1',2'-E]-[1,2,5,6]-TETRAAZOCINEDIUM-DIBROMIDE
SpectraBase Compound ID AdllEL4sJwA
InChI InChI=1S/C30H42N4.2BrH/c1-2-32-16-28(30-25-11-21-6-22(13-25)14-26(30)12-21)18-34(32)4-3-33-17-27(15-31(1)33)29-23-7-19-5-20(9-23)10-24(29)8-19;;/h15-26,29-30H,1-14H2;2*1H/q+2;;/p-2/t19-,20+,21-,22+,23-,24+,25-,26+,29?,30?;;
InChIKey BXIPKPVJQZAPCN-AXUITMDNSA-L
Mol Weight 618.502 g/mol
Molecular Formula C30H42Br2N4
Exact Mass 616.177623 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1XrAfO2fYy3
Name 2,9-BIS-(1-ADAMANTYL)-5,6,12,13-TETRAHYDRO-[1,2-A:1',2'-E]-[1,2,5,6]-TETRAAZOCINEDIUM-DIBROMIDE
Compound Number 4C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H42Br2N4
InChI InChI=1S/C30H42N4.2BrH/c1-2-32-16-28(30-25-11-21-6-22(13-25)14-26(30)12-21)18-34(32)4-3-33-17-27(15-31(1)33)29-23-7-19-5-20(9-23)10-24(29)8-19;;/h15-26,29-30H,1-14H2;2*1H/q+2;;/p-2/t19-,20+,21-,22+,23-,24+,25-,26+,29?,30?;;
InChIKey BXIPKPVJQZAPCN-AXUITMDNSA-L
Literature Reference Author P.CABILDO,R.M.CLARAMUNT,P.CORNAGO,J.L.LAVANDERA,D.SANZ,N.JAE ROVIC,M.L.JIMENO,J.E
Literature Reference Citation J.CHEM.SOC.PERKIN-2,701(1996)
Literature Reference DOI 10.1039/p29960000701
Molecular Weight 618.498 g/mol
Solvent DMSO-D6:CF3COOH
Source File Reference UWCS21399