| SpectraBase Spectrum ID |
5am2Zvp2fFt |
| Name |
Fumaric acid, 3-methylbut-2-yl tridecyl 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/c1-5-6-7-8-9-10-11-12-13-14-15-18-25-21(23)16-17-22(24)26-20(4)19(2)3/h16-17,19-20H,5-15,18H2,1-4H3/b17-16+ |
| InChIKey |
SFWHRGRIZYEOFU-WUKNDPDISA-N |
| Molecular Weight |
368.558 g/mol |
| SMILES |
C(\C=C\C(OC(C(C)C)C)=O)(OCCCCCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.927715 |
