| SpectraBase Spectrum ID |
H5ShLaymrJp |
| Name |
Fumaric acid, di(3-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/c1-5-11(6-2)17-13(15)9-10-14(16)18-12(7-3)8-4/h9-12H,5-8H2,1-4H3/b10-9+ |
| InChIKey |
GXIIJJWOYSZSNI-MDZDMXLPSA-N |
| Molecular Weight |
256.342 g/mol |
| SMILES |
C(OC(\C=C\C(OC(CC)CC)=O)=O)(CC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.904857 |
