| SpectraBase Spectrum ID |
JSnfPAVkAXm |
| Name |
Fumaric acid, hexadecyl 2-methylpentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
424.355260022 u |
| Formula |
C26H48O4 |
| InChI |
InChI=1S/C26H48O4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-22-29-25(27)20-21-26(28)30-23-24(3)19-5-2/h20-21,24H,4-19,22-23H2,1-3H3/b21-20+ |
| InChIKey |
QPBDGPJSTQEQOR-QZQOTICOSA-N |
| Molecular Weight |
424.666 g/mol |
| SMILES |
C(OCC(C)CCC)(\C=C\C(OCCCCCCCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.965768 |
