| SpectraBase Spectrum ID |
5BkHoRi1mvQ |
| Name |
Fumaric acid, di(2-ethylcyclohexyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
336.230059506 u |
| Formula |
C20H32O4 |
| InChI |
InChI=1S/C20H32O4/c1-3-15-9-5-7-11-17(15)23-19(21)13-14-20(22)24-18-12-8-6-10-16(18)4-2/h13-18H,3-12H2,1-2H3/b14-13+ |
| InChIKey |
PMYKEBZCSPZZIZ-BUHFOSPRSA-N |
| Molecular Weight |
336.472 g/mol |
| SMILES |
C(C1C(CCCC1)OC(\C=C\C(OC1C(CC)CCCC1)=O)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.917116 |
