| SpectraBase Spectrum ID |
BfgHcsZvEWV |
| Name |
Fumaric acid, hexyl 3-methylbut-2-yl 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/c1-5-6-7-8-11-18-14(16)9-10-15(17)19-13(4)12(2)3/h9-10,12-13H,5-8,11H2,1-4H3/b10-9+ |
| InChIKey |
RAMMVMYLYTYZEF-MDZDMXLPSA-N |
| Molecular Weight |
270.369 g/mol |
| SMILES |
C(\C=C\C(OC(C(C)C)C)=O)(OCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.885541 |
