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1,3-DIMETHYL-5,6,12,13-TETRAHYDRO-[1,2-A:1',2'-E]-[1,2,5,6]-TETRAAZOCINEDIUM-DIBROMIDE
SpectraBase Compound ID GQEVFMImRTM
InChI InChI=1S/C12H18N4.2BrH/c1-11-10-12(2)16-9-7-14-5-3-4-13(14)6-8-15(11)16;;/h3-5,10H,6-9H2,1-2H3;2*1H/q+2;;/p-2
InChIKey HBCVFIPKFQYXSO-UHFFFAOYSA-L
Mol Weight 378.112 g/mol
Molecular Formula C12H18Br2N4
Exact Mass 375.989823 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ENlSYuH6ugL
Name 1,3-DIMETHYL-5,6,12,13-TETRAHYDRO-[1,2-A:1',2'-E]-[1,2,5,6]-TETRAAZOCINEDIUM-DIBROMIDE
Compound Number 4D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H18Br2N4
InChI InChI=1S/C12H18N4.2BrH/c1-11-10-12(2)16-9-7-14-5-3-4-13(14)6-8-15(11)16;;/h3-5,10H,6-9H2,1-2H3;2*1H/q+2;;/p-2
InChIKey HBCVFIPKFQYXSO-UHFFFAOYSA-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 378.110 g/mol
Solvent D2O
Source File Reference UWCS21400