| SpectraBase Spectrum ID |
JwxTK3p8tnL |
| Name |
Fumaric acid, pentyl trans-hex-3-enyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
268.167459249 u |
| Formula |
C15H24O4 |
| InChI |
InChI=1S/C15H24O4/c1-3-5-7-9-13-19-15(17)11-10-14(16)18-12-8-6-4-2/h5,7,10-11H,3-4,6,8-9,12-13H2,1-2H3/b7-5+,11-10+ |
| InChIKey |
TXYAUZAXQBGEJS-WTQQXEBVSA-N |
| Molecular Weight |
268.353 g/mol |
| SMILES |
C(OCC\C=C\CC)(\C=C\C(OCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961364 |
