| SpectraBase Compound ID | V4CVBTuESZ |
|---|---|
| InChI | InChI=1S/C18H24O/c1-16-12-11-14-18(2,3)17(16)13-9-7-5-4-6-8-10-15-19/h4-10,13,15H,11-12,14H2,1-3H3/b6-4+,7-5+,10-8+,13-9+ |
| InChIKey | LQUMYDAOKHBIJN-IGEUGCNCSA-N |
| Mol Weight | 256.39 g/mol |
| Molecular Formula | C18H24O |
| Exact Mass | 256.182715 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2Z9dvQ1wjyF |
|---|---|
| Name | (all E)-9,13-bis(Demethyl)retinal |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.182715392 u |
| Formula | C18H24O |
| InChI | InChI=1S/C18H24O/c1-16-12-11-14-18(2,3)17(16)13-9-7-5-4-6-8-10-15-19/h4-10,13,15H,11-12,14H2,1-3H3/b6-4+,7-5+,10-8+,13-9+ |
| InChIKey | LQUMYDAOKHBIJN-IGEUGCNCSA-N |
| Molecular Weight | 256.389 g/mol |
| SMILES | C1(=C(CCCC1(C)C)C)\C=C\C=C\C=C\C=C\C=O |