| SpectraBase Compound ID | 8lJzX5ZxLqt |
|---|---|
| InChI | InChI=1S/C27H50O2/c1-4-6-8-10-12-13-14-15-16-17-18-19-21-23-25-27(29-26(3)28)24-22-20-11-9-7-5-2/h27H,4-22,24H2,1-3H3/t27-/m0/s1 |
| InChIKey | WWHZLUOVZCZIEF-MHZLTWQESA-N |
| Mol Weight | 406.7 g/mol |
| Molecular Formula | C27H50O2 |
| Exact Mass | 406.381081 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | L3omhmyaY1U |
|---|---|
| Name | (S)-(-)-pentacos-10-yn-9-yl acetate |
| 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/c1-4-6-8-10-12-13-14-15-16-17-18-19-21-23-25-27(29-26(3)28)24-22-20-11-9-7-5-2/h27H,4-22,24H2,1-3H3/t27-/m0/s1 |
| InChIKey | WWHZLUOVZCZIEF-MHZLTWQESA-N |
| Molecular Weight | 406.695 g/mol |
| SMILES | C(#CCCCCCCCCCCCCCC)[C@@](OC(=O)C)(CCCCCCCC)[H] |