| SpectraBase Spectrum ID |
L2mkEOI5xQv |
| Name |
Fumaric acid, propyl 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 |
240.136159120 u |
| Formula |
C13H20O4 |
| InChI |
InChI=1S/C13H20O4/c1-3-5-6-7-11-17-13(15)9-8-12(14)16-10-4-2/h5-6,8-9H,3-4,7,10-11H2,1-2H3/b6-5+,9-8+ |
| InChIKey |
SSGOPRWMTHYQSV-HHWLVVFRSA-N |
| Molecular Weight |
240.299 g/mol |
| SMILES |
C(OCC\C=C\CC)(\C=C\C(OCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.985073 |
