| SpectraBase Spectrum ID |
IjMG6IZA7d5 |
| Name |
Fumaric acid, isobutyl 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 |
254.151809184 u |
| Formula |
C14H22O4 |
| InChI |
InChI=1S/C14H22O4/c1-4-5-6-7-10-17-13(15)8-9-14(16)18-11-12(2)3/h5-6,8-9,12H,4,7,10-11H2,1-3H3/b6-5+,9-8+ |
| InChIKey |
FUNUUOONRYZMBG-HHWLVVFRSA-N |
| Molecular Weight |
254.326 g/mol |
| SMILES |
C(OCC\C=C\CC)(\C=C\C(OCC(C)C)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.971924 |
