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(6Z)-ISOCAROTENE;Z-ISOMER;4',5'-DIDEHYDRO-4,5'-RETRO-BETA,BETA-CAROTENE
SpectraBase Compound ID EmWfKFE4Fxb
InChI InChI=1S/C40H54/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-28H,15-16,29-30H2,1-10H3/b17-11+,18-12+,21-13+,22-14+,31-19+,32-20+,33-25+,34-26+,37-27+,38-28+
InChIKey RRMHVWZOQSOJEK-VDISQYCASA-N
Mol Weight 534.9 g/mol
Molecular Formula C40H54
Exact Mass 534.422552 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2OWbpifAJDC
Name (6Z)-ISOCAROTENE;Z-ISOMER;4',5'-DIDEHYDRO-4,5'-RETRO-BETA,BETA-CAROTENE
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H54
InChI InChI=1S/C40H54/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-28H,15-16,29-30H2,1-10H3/b17-11+,18-12+,21-13+,22-14+,31-19+,32-20+,33-25+,34-26+,37-27+,38-28+
InChIKey RRMHVWZOQSOJEK-VDISQYCASA-N
Literature Reference Author B.F.LUTNAES,G.KILDAHL-ANDERSEN,J.KRANE,S.LIAAEN-JENSEN
Literature Reference Citation J.AM.CHEM.SOC.,126,8981(2004)
Literature Reference DOI 10.1021/ja0492541
Molecular Weight 534.869 g/mol
Solvent CDCl3
Source File Reference UWVN31463