| SpectraBase Compound ID | V0OTUSeB5X |
|---|---|
| InChI | InChI=1S/C11H18O3/c1-9(8-12)6-4-5-7-10(2)11(13)14-3/h4-5,7,9,12H,6,8H2,1-3H3/b5-4+,10-7+ |
| InChIKey | KKGJWPZATWYOOU-YIORLJKJSA-N |
| Mol Weight | 198.26 g/mol |
| Molecular Formula | C11H18O3 |
| Exact Mass | 198.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KmVTJ2XxKIm |
|---|---|
| Name | (2E,4E)-2,7-Dimethyl-8-hydroxyoctadienoic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.125594437 u |
| Formula | C11H18O3 |
| InChI | InChI=1S/C11H18O3/c1-9(8-12)6-4-5-7-10(2)11(13)14-3/h4-5,7,9,12H,6,8H2,1-3H3/b5-4+,10-7+ |
| InChIKey | KKGJWPZATWYOOU-YIORLJKJSA-N |
| Molecular Weight | 198.262 g/mol |
| SMILES | C(\C(=C\C=C\CC(CO)C)C)(=O)OC |