| SpectraBase Compound ID | 2sYEjW4Rjft |
|---|---|
| InChI | InChI=1S/C35H46O/c1-28(17-11-19-30(3)20-13-22-32(5)27-36)15-9-10-16-29(2)18-12-21-31(4)24-25-34-33(6)23-14-26-35(34,7)8/h9-13,15-22,24-25,27H,14,23,26H2,1-8H3/b10-9+,17-11+,18-12+,20-13+,25-24+,28-15+,29-16+,30-19+,31-21+,32-22+ |
| InChIKey | FTQSFEZUHZHOAT-BRZOAGJPSA-N |
| Mol Weight | 482.8 g/mol |
| Molecular Formula | C35H46O |
| Exact Mass | 482.354866 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HWKFHoS6XkI |
|---|---|
| Name | 4'-Apo.beta.,.psi.-caroten-4'-al |
| CAS Registry Number | 5056-12-2 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C35H46O |
| InChI | InChI=1S/C35H46O/c1-28(17-11-19-30(3)20-13-22-32(5)27-36)15-9-10-16-29(2)18-12-21-31(4)24-25-34-33(6)23-14-26-35(34,7)8/h9-13,15-22,24-25,27H,14,23,26H2,1-8H3/b10-9+,17-11+,18-12+,20-13+,25-24+,28-15+,29-16+,30-19+,31-21+,32-22+ |
| InChIKey | FTQSFEZUHZHOAT-BRZOAGJPSA-N |
| Instrument Name | Bruker WH-90 |
| Literature Reference | W. Bremser, J. Paust, Org. Magn. Resonance 6, 433 (1974). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |