| SpectraBase Spectrum ID |
BF7ouRVTyQa |
| Name |
(S)-(-)-pentacos-10-yn-9-yl acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| 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] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.805897 |
