| SpectraBase Compound ID | KCpugOKdTVS |
|---|---|
| InChI | InChI=1S/C29H54O2/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28-31-29(30)27-25-23-21-12-10-8-6-4-2/h2H,3,5-28H2,1H3 |
| InChIKey | GIXXCJBLAKJFIX-UHFFFAOYSA-N |
| Mol Weight | 434.7 g/mol |
| Molecular Formula | C29H54O2 |
| Exact Mass | 434.412381 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2v6raJSRHSa |
|---|---|
| Name | Undec-10-ynoic acid, octadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 434.412380977 u |
| Formula | C29H54O2 |
| InChI | InChI=1S/C29H54O2/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28-31-29(30)27-25-23-21-12-10-8-6-4-2/h2H,3,5-28H2,1H3 |
| InChIKey | GIXXCJBLAKJFIX-UHFFFAOYSA-N |
| Molecular Weight | 434.749 g/mol |
| SMILES | C(CCCC(OCCCCCCCCCCCCCCCCCC)=O)CCCCC#C |