| SpectraBase Spectrum ID |
HAKfBzgwkHS |
| Name |
Fumaric acid, hexadecyl 2-methyl-4-methoxybutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
440.350174641 u |
| Formula |
C26H48O5 |
| InChI |
InChI=1S/C26H48O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-30-25(27)18-19-26(28)31-23-24(2)20-22-29-3/h18-19,24H,4-17,20-23H2,1-3H3/b19-18+ |
| InChIKey |
XPAJKTVQRMIKOZ-VHEBQXMUSA-N |
| Molecular Weight |
440.665 g/mol |
| SMILES |
CCCCCCCCCCCCCCCCOC(\C=C\C(OCC(CCOC)C)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949608 |
