| SpectraBase Spectrum ID |
Ed4jjUc3Ux3 |
| Name |
Fumaric acid, hexyl pent-4-en-2-yl 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/c1-4-6-7-8-12-18-14(16)10-11-15(17)19-13(3)9-5-2/h5,10-11,13H,2,4,6-9,12H2,1,3H3/b11-10+ |
| InChIKey |
GFBDACUBDXBCIW-ZHACJKMWSA-N |
| Molecular Weight |
268.353 g/mol |
| SMILES |
C=CCC(OC(\C=C\C(OCCCCCC)=O)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.931473 |
