| SpectraBase Compound ID | HTdEQN4S9K7 |
|---|---|
| InChI | InChI=1S/C13H20O5/c1-4-16-12(15)8-6-5-7-10-11(9-14)18-13(2,3)17-10/h5-8,10-11,14H,4,9H2,1-3H3/b7-5-,8-6+ |
| InChIKey | IKWYJQMWTADLIA-CGXWXWIYSA-N |
| Mol Weight | 256.3 g/mol |
| Molecular Formula | C13H20O5 |
| Exact Mass | 256.131074 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6fjqXIKvwDS |
|---|---|
| Name | Ethyl 8-hydroxy-(6R,7S)-6,7-o-isopropylidene-(2E,4Z)-octadienoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.131073739 u |
| Formula | C13H20O5 |
| InChI | InChI=1S/C13H20O5/c1-4-16-12(15)8-6-5-7-10-11(9-14)18-13(2,3)17-10/h5-8,10-11,14H,4,9H2,1-3H3/b7-5-,8-6+ |
| InChIKey | IKWYJQMWTADLIA-CGXWXWIYSA-N |
| Molecular Weight | 256.298 g/mol |
| SMILES | C1(OC(CO)C(O1)\C=C/C=C/C(=O)OCC)(C)C |