| SpectraBase Spectrum ID |
FWnwOmkKqgz |
| Name |
Fumaric acid, 3-methylbutyl 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/c1-5-7-13(6-2)19-15(17)9-8-14(16)18-11-10-12(3)4/h8-9,12-13H,6,10-11H2,1-4H3/b9-8+ |
| InChIKey |
SONHRYHTAHHGHU-CMDGGOBGSA-N |
| Molecular Weight |
266.337 g/mol |
| SMILES |
C(\C=C\C(OC(CC)C#CC)=O)(OCCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.964827 |
