| SpectraBase Compound ID | EE3hQGHvfWd |
|---|---|
| InChI | InChI=1S/C25H46O2/c1-3-5-7-9-11-13-14-15-16-18-20-22-24-27-25(26)23-21-19-17-12-10-8-6-4-2/h2H,3,5-24H2,1H3 |
| InChIKey | AGXFKXFGJDTHNJ-UHFFFAOYSA-N |
| Mol Weight | 378.6 g/mol |
| Molecular Formula | C25H46O2 |
| Exact Mass | 378.349781 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7O9iPQcPaPt |
|---|---|
| Name | Undec-10-ynoic acid, tetradecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 378.349780719 u |
| Formula | C25H46O2 |
| InChI | InChI=1S/C25H46O2/c1-3-5-7-9-11-13-14-15-16-18-20-22-24-27-25(26)23-21-19-17-12-10-8-6-4-2/h2H,3,5-24H2,1H3 |
| InChIKey | AGXFKXFGJDTHNJ-UHFFFAOYSA-N |
| Molecular Weight | 378.641 g/mol |
| SMILES | C(CCCC(OCCCCCCCCCCCCCC)=O)CCCCC#C |