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2-(N,N,N-TRIMETHYL)-ETHYL-BETA-APO-8'-CAROTENOATE-BROMIDE
SpectraBase Compound ID 4iz8NcRolt5
InChI InChI=1S/C35H52NO2.BrH/c1-28(18-13-19-30(3)23-24-33-31(4)22-15-25-35(33,6)7)16-11-12-17-29(2)20-14-21-32(5)34(37)38-27-26-36(8,9)10;/h11-14,16-21,23-24H,15,22,25-27H2,1-10H3;1H/q+1;/p-1/b12-11+,18-13+,20-14+,24-23+,28-16+,29-17+,30-19+,32-21+;
InChIKey UITUFPFQYZZLKD-JSUYSFKQSA-M
Mol Weight 598.7 g/mol
Molecular Formula C35H52BrNO2
Exact Mass 597.318143 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1LS16ezMJJf
Name 2-(N,N,N-TRIMETHYL)-ETHYL-BETA-APO-8'-CAROTENOATE-BROMIDE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H52BrNO2
InChI InChI=1S/C35H52NO2.BrH/c1-28(18-13-19-30(3)23-24-33-31(4)22-15-25-35(33,6)7)16-11-12-17-29(2)20-14-21-32(5)34(37)38-27-26-36(8,9)10;/h11-14,16-21,23-24H,15,22,25-27H2,1-10H3;1H/q+1;/p-1/b12-11+,18-13+,20-14+,24-23+,28-16+,29-17+,30-19+,32-21+;
InChIKey UITUFPFQYZZLKD-JSUYSFKQSA-M
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 598.707 g/mol
Sample ID 1650
Solvent CDCl3