| SpectraBase Compound ID | 8PsOd5b04Mo |
|---|---|
| InChI | InChI=1S/C13H22O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h1H,4-12H2,2H3 |
| InChIKey | AXWAFEBOAMBOOB-UHFFFAOYSA-N |
| Mol Weight | 210.32 g/mol |
| Molecular Formula | C13H22O2 |
| Exact Mass | 210.16198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5EUh1b65Rk |
|---|---|
| Name | 11-Dodecynoic acid, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.161979946 u |
| Formula | C13H22O2 |
| InChI | InChI=1S/C13H22O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h1H,4-12H2,2H3 |
| InChIKey | AXWAFEBOAMBOOB-UHFFFAOYSA-N |
| Molecular Weight | 210.317 g/mol |
| SMILES | C(CCCCCCCCCC(=O)OC)#C |