| SpectraBase Spectrum ID |
3AUTQHKhPOl |
| Name |
Fumaric acid, 2-methylpentyl pentyl 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/c1-4-6-7-11-18-14(16)9-10-15(17)19-12-13(3)8-5-2/h9-10,13H,4-8,11-12H2,1-3H3/b10-9+ |
| InChIKey |
KKSFGTGJROILLS-MDZDMXLPSA-N |
| Molecular Weight |
270.369 g/mol |
| SMILES |
C(OCC(C)CCC)(\C=C\C(OCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.987477 |
