| SpectraBase Compound ID | 4Je8VKJt5tY |
|---|---|
| InChI | InChI=1S/C22H32O2/c1-3-4-5-6-7-8-9-10-11-12-16-19-24-22(23)20(2)21-17-14-13-15-18-21/h13-15,17-18,20H,3-11,19H2,1-2H3 |
| InChIKey | YHGYEFHSUCZMQR-UHFFFAOYSA-N |
| Mol Weight | 328.5 g/mol |
| Molecular Formula | C22H32O2 |
| Exact Mass | 328.24023 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ISUS3Kqtba9 |
|---|---|
| Name | Hydratropic acid, tridec-2-yn-1-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 328.240230268 u |
| Formula | C22H32O2 |
| InChI | InChI=1S/C22H32O2/c1-3-4-5-6-7-8-9-10-11-12-16-19-24-22(23)20(2)21-17-14-13-15-18-21/h13-15,17-18,20H,3-11,19H2,1-2H3 |
| InChIKey | YHGYEFHSUCZMQR-UHFFFAOYSA-N |
| Molecular Weight | 328.496 g/mol |
| SMILES | C1=C(C=CC=C1)C(C(=O)OCC#CCCCCCCCCCC)C |