| SpectraBase Compound ID | 2lA8KHyYxvE |
|---|---|
| InChI | InChI=1S/C22H32O3/c1-16(8-7-9-17(2)13-15-23)10-11-20-18(3)21(25-19(4)24)12-14-22(20,5)6/h7-11,13,21,23H,12,14-15H2,1-6H3/b9-7+,11-10+,16-8+,17-13+/t21-/m0/s1 |
| InChIKey | RABDPYGTKRCHDE-SRDRQEDTSA-N |
| Mol Weight | 344.5 g/mol |
| Molecular Formula | C22H32O3 |
| Exact Mass | 344.235145 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 79453EKpoUN |
|---|---|
| Name | (S)-all Trans-4-acetoxy-retinol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 344.235144887 u |
| Formula | C22H32O3 |
| InChI | InChI=1S/C22H32O3/c1-16(8-7-9-17(2)13-15-23)10-11-20-18(3)21(25-19(4)24)12-14-22(20,5)6/h7-11,13,21,23H,12,14-15H2,1-6H3/b9-7+,11-10+,16-8+,17-13+/t21-/m0/s1 |
| InChIKey | RABDPYGTKRCHDE-SRDRQEDTSA-N |
| Molecular Weight | 344.495 g/mol |
| SMILES | C1(=C([C@@](OC(=O)C)(CCC1(C)C)[H])C)\C=C\C(=C\C=C\C(=C\CO)C)C |