| SpectraBase Compound ID | 8QNP27JvrwC |
|---|---|
| InChI | InChI=1S/C11H20O4/c1-8(10(13)7-12)5-4-6-9(2)11(14)15-3/h6,8,10,12-13H,4-5,7H2,1-3H3/b9-6+/t8-,10+/m0/s1 |
| InChIKey | XJPHGUUUMKILHB-YSPXFBHJSA-N |
| Mol Weight | 216.28 g/mol |
| Molecular Formula | C11H20O4 |
| Exact Mass | 216.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9hA7EOMRdmZ |
|---|---|
| Name | (E,6S,7S)-7,8-Dihydroxy-2,6-dimethyl-2-octenoic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.136159120 u |
| Formula | C11H20O4 |
| InChI | InChI=1S/C11H20O4/c1-8(10(13)7-12)5-4-6-9(2)11(14)15-3/h6,8,10,12-13H,4-5,7H2,1-3H3/b9-6+/t8-,10+/m0/s1 |
| InChIKey | XJPHGUUUMKILHB-YSPXFBHJSA-N |
| Molecular Weight | 216.277 g/mol |
| SMILES | C(\C(=C\CC[C@@]([C@](O)(CO)[H])(C)[H])C)(=O)OC |