| SpectraBase Spectrum ID |
8gkNkkqZAL6 |
| Name |
Fumaric acid, hex-4-yn-3-yl pentyl 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/c1-4-7-8-12-18-14(16)10-11-15(17)19-13(6-3)9-5-2/h10-11,13H,4,6-8,12H2,1-3H3/b11-10+ |
| InChIKey |
HUBRCLOVSAMWCB-ZHACJKMWSA-N |
| Molecular Weight |
266.337 g/mol |
| SMILES |
C(\C=C\C(OC(C#CC)CC)=O)(OCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.903861 |
