| SpectraBase Compound ID | DrCvMuKoVga |
|---|---|
| InChI | InChI=1S/C27H36O/c1-22(12-7-8-13-23(2)16-11-21-28)14-9-15-24(3)18-19-26-25(4)17-10-20-27(26,5)6/h7-9,11-16,18-19,21H,10,17,20H2,1-6H3/b8-7+,14-9+,16-11+,19-18+,22-12+,23-13+,24-15+ |
| InChIKey | PJEHRCCPERVGEC-FLHUAPOTSA-N |
| Mol Weight | 376.6 g/mol |
| Molecular Formula | C27H36O |
| Exact Mass | 376.276616 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1dnzwdqICrP |
|---|---|
| Name | .beta.-apo-10'-Carotenal |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 376.276615778 u |
| Formula | C27H36O |
| InChI | InChI=1S/C27H36O/c1-22(12-7-8-13-23(2)16-11-21-28)14-9-15-24(3)18-19-26-25(4)17-10-20-27(26,5)6/h7-9,11-16,18-19,21H,10,17,20H2,1-6H3/b8-7+,14-9+,16-11+,19-18+,22-12+,23-13+,24-15+ |
| InChIKey | PJEHRCCPERVGEC-FLHUAPOTSA-N |
| Molecular Weight | 376.584 g/mol |
| SMILES | C1(\C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=O)C)C)C)=C(CCCC1(C)C)C |