| SpectraBase Spectrum ID |
9WLY9yPjSIG |
| Name |
Fumaric acid, ethyl 2-octyl 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/c1-4-6-7-8-9-12(3)18-14(16)11-10-13(15)17-5-2/h10-12H,4-9H2,1-3H3/b11-10+ |
| InChIKey |
NYORTAJRQJMBOS-ZHACJKMWSA-N |
| Molecular Weight |
256.342 g/mol |
| SMILES |
CCOC(\C=C\C(=O)OC(C)CCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.843989 |
