| SpectraBase Compound ID | AtjOfi7Xb7R |
|---|---|
| InChI | InChI=1S/C27H50O2/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-26-29-27(28)25-23-21-19-12-10-8-6-4-2/h2H,3,5-26H2,1H3 |
| InChIKey | AHAMRTRAKUNZMP-UHFFFAOYSA-N |
| Mol Weight | 406.7 g/mol |
| Molecular Formula | C27H50O2 |
| Exact Mass | 406.381081 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K3r17U9Z9K0 |
|---|---|
| Name | Undec-10-ynoic acid, hexadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 406.381080848 u |
| Formula | C27H50O2 |
| InChI | InChI=1S/C27H50O2/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-26-29-27(28)25-23-21-19-12-10-8-6-4-2/h2H,3,5-26H2,1H3 |
| InChIKey | AHAMRTRAKUNZMP-UHFFFAOYSA-N |
| Molecular Weight | 406.695 g/mol |
| SMILES | C(CCCC(OCCCCCCCCCCCCCCCC)=O)CCCCC#C |