| SpectraBase Spectrum ID |
9ivHFue1LzG |
| Name |
Fumaric acid, 3-methylbut-2-yl undecyl 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/c1-5-6-7-8-9-10-11-12-13-16-23-19(21)14-15-20(22)24-18(4)17(2)3/h14-15,17-18H,5-13,16H2,1-4H3/b15-14+ |
| InChIKey |
QMJDAWOPAPCFMB-CCEZHUSRSA-N |
| Molecular Weight |
340.504 g/mol |
| SMILES |
C(\C=C\C(OC(C(C)C)C)=O)(OCCCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.940286 |
