| SpectraBase Compound ID | gOOku3d8Kk |
|---|---|
| InChI | InChI=1S/C12H22O4/c1-4-16-12(15)10(3)7-5-6-9(2)11(14)8-13/h7,9,11,13-14H,4-6,8H2,1-3H3/b10-7+/t9-,11+/m0/s1 |
| InChIKey | KCMCHSFGZDVBKF-YZMGIVQGSA-N |
| Mol Weight | 230.3 g/mol |
| Molecular Formula | C12H22O4 |
| Exact Mass | 230.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2DL2TEiCtiv |
|---|---|
| Name | Ethyl (2E,6S,7S)-7,8-dihydroxy-2,6-dimethyl-2-octenoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 230.151809184 u |
| Formula | C12H22O4 |
| InChI | InChI=1S/C12H22O4/c1-4-16-12(15)10(3)7-5-6-9(2)11(14)8-13/h7,9,11,13-14H,4-6,8H2,1-3H3/b10-7+/t9-,11+/m0/s1 |
| InChIKey | KCMCHSFGZDVBKF-YZMGIVQGSA-N |
| Molecular Weight | 230.304 g/mol |
| SMILES | C(\C(=C\CC[C@@]([C@](O)(CO)[H])(C)[H])C)(=O)OCC |