| SpectraBase Compound ID | 4ndTK1uUeYF |
|---|---|
| InChI | InChI=1S/C19H28O/c1-16(13-15-20)10-7-5-6-8-12-18-17(2)11-9-14-19(18,3)4/h5-8,10,12-13,20H,9,11,14-15H2,1-4H3/b6-5+,10-7-,12-8+,16-13+ |
| InChIKey | HUBLVMRMZMOZNU-JMOKGQMXSA-N |
| Mol Weight | 272.43 g/mol |
| Molecular Formula | C19H28O |
| Exact Mass | 272.214016 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FYy5RFwezrw |
|---|---|
| Name | (11Z)-9-Demethylretinol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.214015521 u |
| Formula | C19H28O |
| InChI | InChI=1S/C19H28O/c1-16(13-15-20)10-7-5-6-8-12-18-17(2)11-9-14-19(18,3)4/h5-8,10,12-13,20H,9,11,14-15H2,1-4H3/b6-5+,10-7-,12-8+,16-13+ |
| InChIKey | HUBLVMRMZMOZNU-JMOKGQMXSA-N |
| Molecular Weight | 272.432 g/mol |
| SMILES | C1(=C(CCCC1(C)C)C)\C=C\C=C\C=C/C(=C/CO)C |