| SpectraBase Spectrum ID |
LEWmIGWt35j |
| Name |
2,2-Dimethylpropanoic acid, dodec-9-ynyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
266.224580204 u |
| Formula |
C17H30O2 |
| InChI |
InChI=1S/C17H30O2/c1-5-6-7-8-9-10-11-12-13-14-15-19-16(18)17(2,3)4/h5,8-15H2,1-4H3 |
| InChIKey |
VQANUXKUGPCXIC-UHFFFAOYSA-N |
| Molecular Weight |
266.425 g/mol |
| SMILES |
C(CCCC#CCC)CCCCOC(C(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.965148 |
