| SpectraBase Compound ID | JClnKT4UOEC |
|---|---|
| InChI | InChI=1S/C23H29NO2/c1-17(11-13-20(16-24)22(25)26)8-6-9-18(2)12-14-21-19(3)10-7-15-23(21,4)5/h6,8-9,11-14H,7,10,15H2,1-5H3,(H,25,26)/b8-6+,14-12+,17-11+,18-9+,20-13- |
| InChIKey | HJQRAXHOQDHSRZ-LDJDXXAFSA-N |
| Mol Weight | 351.49 g/mol |
| Molecular Formula | C23H29NO2 |
| Exact Mass | 351.219829 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JLcGksaVXZS |
|---|---|
| Name | 14'-apo-beta,psi-Carotenoic acid, 15'-cyano-; 14'-apo-beta-carotenoic acid, 15'-cyano- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 351.219829176 u |
| Formula | C23H29NO2 |
| InChI | InChI=1S/C23H29NO2/c1-17(11-13-20(16-24)22(25)26)8-6-9-18(2)12-14-21-19(3)10-7-15-23(21,4)5/h6,8-9,11-14H,7,10,15H2,1-5H3,(H,25,26)/b8-6+,14-12+,17-11+,18-9+,20-13- |
| InChIKey | HJQRAXHOQDHSRZ-LDJDXXAFSA-N |
| Molecular Weight | 351.490 g/mol |
| SMILES | OC(\C(=C/C=C/(\C=C\C=C\(\C=C\C=1C(CCCC1C)(C)C)C)C)C#N)=O |