| SpectraBase Spectrum ID |
4waJW9yo9O4 |
| Name |
Fumaric acid, decyl 2-methylpentyl 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/c1-4-6-7-8-9-10-11-12-16-23-19(21)14-15-20(22)24-17-18(3)13-5-2/h14-15,18H,4-13,16-17H2,1-3H3/b15-14+ |
| InChIKey |
NIUUCGLDAUTNTJ-CCEZHUSRSA-N |
| Molecular Weight |
340.504 g/mol |
| SMILES |
C(OCC(C)CCC)(\C=C\C(OCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.98337 |
