| SpectraBase Spectrum ID |
C1AplPnHbiy |
| Name |
Fumaric acid, 2-ethylhexyl isohexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
312.230059506 u |
| Formula |
C18H32O4 |
| InChI |
InChI=1S/C18H32O4/c1-5-7-10-16(6-2)14-22-18(20)12-11-17(19)21-13-8-9-15(3)4/h11-12,15-16H,5-10,13-14H2,1-4H3/b12-11+ |
| InChIKey |
UCIVVKJCQCAKDR-VAWYXSNFSA-N |
| Molecular Weight |
312.450 g/mol |
| SMILES |
CC(C)CCCOC(\C=C\C(OCC(CCCC)CC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.973852 |
