| SpectraBase Spectrum ID |
5FT4n6JNv74 |
| Name |
Fumaric acid, 2-decyl isohexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
340.261359635 u |
| Formula |
C20H36O4 |
| InChI |
InChI=1S/C20H36O4/c1-5-6-7-8-9-10-13-18(4)24-20(22)15-14-19(21)23-16-11-12-17(2)3/h14-15,17-18H,5-13,16H2,1-4H3/b15-14+ |
| InChIKey |
UQVUBUOADOWFGL-CCEZHUSRSA-N |
| Molecular Weight |
340.504 g/mol |
| SMILES |
C(OC(CCCCCCCC)C)(\C=C\C(OCCCC(C)C)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.855751 |
