| SpectraBase Spectrum ID |
GiujD83yEYq |
| Name |
4-Hexadecynoic acid, 2-butoxy-, butyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
380.329045274 u |
| Formula |
C24H44O3 |
| InChI |
InChI=1S/C24H44O3/c1-4-7-10-11-12-13-14-15-16-17-18-19-20-23(26-21-8-5-2)24(25)27-22-9-6-3/h23H,4-17,20-22H2,1-3H3 |
| InChIKey |
GDXUTOWZZDJMNW-UHFFFAOYSA-N |
| Molecular Weight |
380.613 g/mol |
| SMILES |
C(C(CC#CCCCCCCCCCCC)OCCCC)(OCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.927399 |
