| SpectraBase Spectrum ID |
5WbMN4xmpKd |
| Name |
Butanoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
236.177630011 u |
| Formula |
C15H24O2 |
| InChI |
InChI=1S/C15H24O2/c1-6-8-13(5)14(11-10-12(3)4)17-15(16)9-7-2/h13-14H,3,6-9H2,1-2,4-5H3 |
| InChIKey |
WDNQNIPOFVRVLL-UHFFFAOYSA-N |
| Molecular Weight |
236.355 g/mol |
| SMILES |
CCCC(OC(C(C)CCC)C#CC(=C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.832238 |
