| SpectraBase Compound ID | KTDgI7t9NFK |
|---|---|
| InChI | InChI=1S/C28H52O2/c1-3-5-7-9-11-13-14-15-16-17-18-19-21-23-25-27-30-28(29)26-24-22-20-12-10-8-6-4-2/h2H,3,5-27H2,1H3 |
| InChIKey | UCTUWLQBNDCKIQ-UHFFFAOYSA-N |
| Mol Weight | 420.7 g/mol |
| Molecular Formula | C28H52O2 |
| Exact Mass | 420.396731 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EgJdaj4ykH3 |
|---|---|
| Name | Undec-10-ynoic acid, heptadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 420.396730912 u |
| Formula | C28H52O2 |
| InChI | InChI=1S/C28H52O2/c1-3-5-7-9-11-13-14-15-16-17-18-19-21-23-25-27-30-28(29)26-24-22-20-12-10-8-6-4-2/h2H,3,5-27H2,1H3 |
| InChIKey | UCTUWLQBNDCKIQ-UHFFFAOYSA-N |
| Molecular Weight | 420.722 g/mol |
| SMILES | C(CCCC(OCCCCCCCCCCCCCCCCC)=O)CCCCC#C |