| SpectraBase Compound ID | 7jptDp41Pd2 |
|---|---|
| InChI | InChI=1S/C12H14O3/c1-3-11(13)9-7-5-4-6-8-10-12(14)15-2/h1,4-8,10-11,13H,9H2,2H3/b6-4+,7-5+,10-8+/t11-/m1/s1 |
| InChIKey | HIMDDYJZWHSVKH-GQZRHCINSA-N |
| Mol Weight | 206.24 g/mol |
| Molecular Formula | C12H14O3 |
| Exact Mass | 206.094294 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L9dhgWUGuHv |
|---|---|
| Name | (2E,4E,6E,9S)-9-Hydroxyundeca-2,4,6-trien-10-ynoic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.094294308 u |
| Formula | C12H14O3 |
| InChI | InChI=1S/C12H14O3/c1-3-11(13)9-7-5-4-6-8-10-12(14)15-2/h1,4-8,10-11,13H,9H2,2H3/b6-4+,7-5+,10-8+/t11-/m1/s1 |
| InChIKey | HIMDDYJZWHSVKH-GQZRHCINSA-N |
| Molecular Weight | 206.241 g/mol |
| SMILES | C(#C)[C@@](O)(C\C=C\C=C\C=C\C(=O)OC)[H] |