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2-(N,N-DIMETHYL-AMINO)-ETHYL-BETA-APO-8'-CAROTENOATE-HYDROBROMIDE
SpectraBase Compound ID BAk9NN95xzV
InChI InChI=1S/C34H49NO2.BrH/c1-27(17-12-18-29(3)22-23-32-30(4)21-14-24-34(32,6)7)15-10-11-16-28(2)19-13-20-31(5)33(36)37-26-25-35(8)9;/h10-13,15-20,22-23H,14,21,24-26H2,1-9H3;1H/b11-10+,17-12+,19-13+,23-22+,27-15+,28-16+,29-18+,31-20+;
InChIKey ZZJJYCBNHADTJT-SUONJSNLSA-N
Mol Weight 584.7 g/mol
Molecular Formula C34H50BrNO2
Exact Mass 583.302493 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BKlVHQdKLsA
Name 2-(N,N-DIMETHYL-AMINO)-ETHYL-BETA-APO-8'-CAROTENOATE-HYDROBROMIDE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H50BrNO2
InChI InChI=1S/C34H49NO2.BrH/c1-27(17-12-18-29(3)22-23-32-30(4)21-14-24-34(32,6)7)15-10-11-16-28(2)19-13-20-31(5)33(36)37-26-25-35(8)9;/h10-13,15-20,22-23H,14,21,24-26H2,1-9H3;1H/b11-10+,17-12+,19-13+,23-22+,27-15+,28-16+,29-18+,31-20+;
InChIKey ZZJJYCBNHADTJT-SUONJSNLSA-N
Literature Reference Author M.D.PUNGENTE,E.JUBELI,C.L.OPSTAD,M.A.KAWAZ,N.BARAKAT,T.IBRAH IM,N.A.KHALIQUE,L.RA
Literature Reference Citation MOLECULES,17,3484(2012)
Literature Reference DOI 10.3390/molecules17033484
Molecular Weight 584.681 g/mol
Sample ID 1647
Solvent CDCl3