| SpectraBase Spectrum ID |
IeeTuYnJ305 |
| Name |
Fumaric acid, 3-methylbut-2-en-1-yl undecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
338.245709571 u |
| Formula |
C20H34O4 |
| InChI |
InChI=1S/C20H34O4/c1-4-5-6-7-8-9-10-11-12-16-23-19(21)13-14-20(22)24-17-15-18(2)3/h13-15H,4-12,16-17H2,1-3H3/b14-13+ |
| InChIKey |
RUQIHMGNKRGBHM-BUHFOSPRSA-N |
| Molecular Weight |
338.488 g/mol |
| SMILES |
CCCCCCCCCCCOC(\C=C\C(OCC=C(C)C)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958071 |
