| SpectraBase Spectrum ID |
8nZDb48kJI |
| Name |
Fumaric acid, butyl 4-heptyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
270.183109313 u |
| Formula |
C15H26O4 |
| InChI |
InChI=1S/C15H26O4/c1-4-7-12-18-14(16)10-11-15(17)19-13(8-5-2)9-6-3/h10-11,13H,4-9,12H2,1-3H3/b11-10+ |
| InChIKey |
NNBUTFQSJGOBFJ-ZHACJKMWSA-N |
| Molecular Weight |
270.369 g/mol |
| SMILES |
C(OC(CCC)CCC)(\C=C\C(OCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.975256 |
