| SpectraBase Spectrum ID |
54vGKjvYXN4 |
| Name |
Fumaric acid, heptadecyl 2-pentyl 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/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-29-25(27)21-22-26(28)30-24(3)20-5-2/h21-22,24H,4-20,23H2,1-3H3/b22-21+ |
| InChIKey |
QIAAUHXUJBTSQX-QURGRASLSA-N |
| Molecular Weight |
424.666 g/mol |
| SMILES |
C(CCCOC(\C=C\C(OC(C)CCC)=O)=O)CCCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952582 |
