| SpectraBase Spectrum ID |
L5DqXVRWy37 |
| Name |
Glutaric acid, but-3-en-2-yl hex-4-yn-3-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
266.151809184 u |
| Formula |
C15H22O4 |
| InChI |
InChI=1S/C15H22O4/c1-5-9-13(7-3)19-15(17)11-8-10-14(16)18-12(4)6-2/h6,12-13H,2,7-8,10-11H2,1,3-4H3 |
| InChIKey |
CEBIILHLXWTOOK-UHFFFAOYSA-N |
| Molecular Weight |
266.337 g/mol |
| SMILES |
C(CCC(OC(CC)C#CC)=O)C(OC(C)C=C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.867173 |
