| SpectraBase Compound ID | 4RghsJWp3Di |
|---|---|
| InChI | InChI=1S/C20H28O2/c1-15(7-6-8-16(2)11-12-21)9-10-19-17(3)13-18(22)14-20(19,4)5/h6-12,18,22H,13-14H2,1-5H3/b8-6+,10-9+,15-7+,16-11-/t18-/m1/s1 |
| InChIKey | QPRQNCDEPWLQRO-NWXIBPLWSA-N |
| Mol Weight | 300.44 g/mol |
| Molecular Formula | C20H28O2 |
| Exact Mass | 300.20893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CqiCtnD0YYq |
|---|---|
| Name | (R)-(13-cis)-all Trans-3-hydroxy-retinal |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.208930140 u |
| Formula | C20H28O2 |
| InChI | InChI=1S/C20H28O2/c1-15(7-6-8-16(2)11-12-21)9-10-19-17(3)13-18(22)14-20(19,4)5/h6-12,18,22H,13-14H2,1-5H3/b8-6+,10-9+,15-7+,16-11-/t18-/m1/s1 |
| InChIKey | QPRQNCDEPWLQRO-NWXIBPLWSA-N |
| SMILES | C1(=C(C[C@](CC1(C)C)(O)[H])C)\C=C\C(=C\C=C\C(=C/C=O)C)C |