| SpectraBase Spectrum ID |
Mr2fmItU7i |
| Name |
Fumaric acid, 2-methylpentyl tetradecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
396.323959893 u |
| Formula |
C24H44O4 |
| InChI |
InChI=1S/C24H44O4/c1-4-6-7-8-9-10-11-12-13-14-15-16-20-27-23(25)18-19-24(26)28-21-22(3)17-5-2/h18-19,22H,4-17,20-21H2,1-3H3/b19-18+ |
| InChIKey |
ODYQLNFDSKFJTI-VHEBQXMUSA-N |
| Molecular Weight |
396.612 g/mol |
| SMILES |
C(OCC(C)CCC)(\C=C\C(OCCCCCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94701 |
