| SpectraBase Compound ID | A2swpTaKXMx |
|---|---|
| InChI | InChI=1S/C30H40O/c1-24(13-8-9-14-25(2)16-11-18-27(4)23-31)15-10-17-26(3)20-21-29-28(5)19-12-22-30(29,6)7/h8-11,13-18,20-21,23H,12,19,22H2,1-7H3/b9-8+,15-10+,16-11+,21-20+,24-13-,25-14+,26-17+,27-18+ |
| InChIKey | DFMMVLFMMAQXHZ-JOXYXNADSA-N |
| Mol Weight | 416.6 g/mol |
| Molecular Formula | C30H40O |
| Exact Mass | 416.307916 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9AVy3SjWFgQ |
|---|---|
| Name | 13-cis-8'-Apo.beta.-carotin-8'-al |
| CAS Registry Number | 59598-23-1 |
| Comments | ZSU-6115-1, ASS. VERIFIED BY 2D-NMR |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C30H40O |
| InChI | InChI=1S/C30H40O/c1-24(13-8-9-14-25(2)16-11-18-27(4)23-31)15-10-17-26(3)20-21-29-28(5)19-12-22-30(29,6)7/h8-11,13-18,20-21,23H,12,19,22H2,1-7H3/b9-8+,15-10+,16-11+,21-20+,24-13-,25-14+,26-17+,27-18+ |
| InChIKey | DFMMVLFMMAQXHZ-JOXYXNADSA-N |
| Instrument Name | Bruker AM-400 |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |