| SpectraBase Compound ID | 2MokLiY0sCQ |
|---|---|
| InChI | InChI=1S/C25H38O5/c1-20(28-19-21-12-14-22(27-4)15-13-21)10-8-6-5-7-9-11-23-18-24(16-17-26)30-25(2,3)29-23/h5,7,9,11-15,20,23-24,26H,6,8,10,16-19H2,1-4H3/b7-5+,11-9+/t20-,23+,24+/m1/s1 |
| InChIKey | MKUIBTRJIHDZRP-KBINPQBESA-N |
| Mol Weight | 418.6 g/mol |
| Molecular Formula | C25H38O5 |
| Exact Mass | 418.271924 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1b82AtXGUoh |
|---|---|
| Name | 1-Hydroxy-13-p-methoxybenzyloxy-3,5-di-o-isopropylidenetetradeca-6,8-diene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 418.271924319 u |
| Formula | C25H38O5 |
| InChI | InChI=1S/C25H38O5/c1-20(28-19-21-12-14-22(27-4)15-13-21)10-8-6-5-7-9-11-23-18-24(16-17-26)30-25(2,3)29-23/h5,7,9,11-15,20,23-24,26H,6,8,10,16-19H2,1-4H3/b7-5+,11-9+/t20-,23+,24+/m1/s1 |
| InChIKey | MKUIBTRJIHDZRP-KBINPQBESA-N |
| Molecular Weight | 418.574 g/mol |
| SMILES | C1(O[C@@](\C=C\C=C\CCC[C@](OCC2=CC=C(C=C2)OC)(C)[H])(C[C@@](O1)(CCO)[H])[H])(C)C |