| SpectraBase Spectrum ID |
Agz7txqNJgi |
| Name |
Fumaric acid, isohexyl tridecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
382.308309828 u |
| Formula |
C23H42O4 |
| InChI |
InChI=1S/C23H42O4/c1-4-5-6-7-8-9-10-11-12-13-14-19-26-22(24)17-18-23(25)27-20-15-16-21(2)3/h17-18,21H,4-16,19-20H2,1-3H3/b18-17+ |
| InChIKey |
MQOYZZBFXRGHMQ-ISLYRVAYSA-N |
| Molecular Weight |
382.585 g/mol |
| SMILES |
C(\C=C\C(OCCCC(C)C)=O)(OCCCCCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943525 |
