| SpectraBase Spectrum ID |
5F9SHPxUqGv |
| Name |
Fumaric acid, 2-methylpentyl 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/c1-4-6-7-8-9-10-11-12-13-14-15-19-26-22(24)17-18-23(25)27-20-21(3)16-5-2/h17-18,21H,4-16,19-20H2,1-3H3/b18-17+ |
| InChIKey |
NUGFTGNLNMBQAA-ISLYRVAYSA-N |
| Molecular Weight |
382.585 g/mol |
| SMILES |
C(OCC(C)CCC)(\C=C\C(OCCCCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.960197 |
