| SpectraBase Spectrum ID |
7oLx81oG0ud |
| Name |
Fumaric acid, 2,4-dimethylpent-3-yl undecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
368.292659764 u |
| Formula |
C22H40O4 |
| InChI |
InChI=1S/C22H40O4/c1-6-7-8-9-10-11-12-13-14-17-25-20(23)15-16-21(24)26-22(18(2)3)19(4)5/h15-16,18-19,22H,6-14,17H2,1-5H3/b16-15+ |
| InChIKey |
NLQHFNWCOXBYBB-FOCLMDBBSA-N |
| Molecular Weight |
368.558 g/mol |
| SMILES |
C(OC(C(C)C)C(C)C)(\C=C\C(OCCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.884343 |
