| SpectraBase Compound ID | IpnI9G6sXGb |
|---|---|
| InChI | InChI=1S/C18H32O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(20-2)18(19)21-3/h17H,4-13,16H2,1-3H3 |
| InChIKey | RTIVCRYDCINKBL-UHFFFAOYSA-N |
| Mol Weight | 296.5 g/mol |
| Molecular Formula | C18H32O3 |
| Exact Mass | 296.235145 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5d7zSNKy8SJ |
|---|---|
| Name | 4-Hexadecynoic acid, 2-methoxy-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.235144887 u |
| Formula | C18H32O3 |
| InChI | InChI=1S/C18H32O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(20-2)18(19)21-3/h17H,4-13,16H2,1-3H3 |
| InChIKey | RTIVCRYDCINKBL-UHFFFAOYSA-N |
| SMILES | C(C(C(OC)=O)OC)C#CCCCCCCCCCCC |