| SpectraBase Compound ID | CWq3nPTBejd |
|---|---|
| InChI | InChI=1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h8-9H,3-7,12-18H2,1-2H3/b9-8+ |
| InChIKey | QMZUILXAAOEXNR-CMDGGOBGSA-N |
| Mol Weight | 292.5 g/mol |
| Molecular Formula | C19H32O2 |
| Exact Mass | 292.24023 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | sfxgIT1wD7 |
|---|---|
| Name | Methyl octadeca-9-yn-11-trans-enoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 292.240230268 u |
| Formula | C19H32O2 |
| InChI | InChI=1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h8-9H,3-7,12-18H2,1-2H3/b9-8+ |
| InChIKey | QMZUILXAAOEXNR-CMDGGOBGSA-N |
| SMILES | C(CCCCCCC#C\C=C\CCCCCC)C(OC)=O |