| SpectraBase Spectrum ID |
LmVwxl0XZD7 |
| Name |
Fumaric acid, di(2-pentyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
256.167459249 u |
| Formula |
C14H24O4 |
| InChI |
InChI=1S/C14H24O4/c1-5-7-11(3)17-13(15)9-10-14(16)18-12(4)8-6-2/h9-12H,5-8H2,1-4H3/b10-9+ |
| InChIKey |
DJOLQBLYDDQTSY-MDZDMXLPSA-N |
| Molecular Weight |
256.342 g/mol |
| SMILES |
C(C(OC(\C=C\C(OC(CCC)C)=O)=O)C)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.988325 |
