| SpectraBase Spectrum ID |
79HK1f053sE |
| Name |
Fumaric acid, heptadecyl 3-methylbut-2-yl 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/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-29-25(27)20-21-26(28)30-24(4)23(2)3/h20-21,23-24H,5-19,22H2,1-4H3/b21-20+ |
| InChIKey |
RBBNMCLKAABKCJ-QZQOTICOSA-N |
| Molecular Weight |
424.666 g/mol |
| SMILES |
C(\C=C\C(OC(C(C)C)C)=O)(OCCCCCCCCCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.926915 |
