![1,3,3-trimethyl-2-[(1E,3E,5E,7E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-1-cyclohexenyl)octadeca-1,3,5,7,11,13,15,17-octaen-9-ynyl]cyclohexene](/api/spectrum/7fqDK9rPrtA/structure.png?h=300&w=458 "1,3,3-trimethyl-2-[(1E,3E,5E,7E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-1-cyclohexenyl)octadeca-1,3,5,7,11,13,15,17-octaen-9-ynyl]cyclohexene")
| SpectraBase Compound ID | H1B3tqc6twl |
|---|---|
| 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/h13-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+ |
| InChIKey | USOYOVIXFHOMRI-AYPYYXBOSA-N |
| Mol Weight | 534.9 g/mol |
| Molecular Formula | C40H54 |
| Exact Mass | 534.422552 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7fqDK9rPrtA |
|---|---|
| Name | 15,15'-Didehydro.beta.-carotene |
| CAS Registry Number | 4481-69-0 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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/h13-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+ |
| InChIKey | USOYOVIXFHOMRI-AYPYYXBOSA-N |
| Instrument Name | Bruker HX-90 |
| Literature Reference | G. Englert, Helv. Chim. Acta 58, 2367 (1975). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |