| SpectraBase Spectrum ID |
DWV5fuTI1Ks |
| Name |
Fumaric acid, 2-methylpentyl pentadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
410.339609957 u |
| Formula |
C25H46O4 |
| InChI |
InChI=1S/C25H46O4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-21-28-24(26)19-20-25(27)29-22-23(3)18-5-2/h19-20,23H,4-18,21-22H2,1-3H3/b20-19+ |
| InChIKey |
ZXSJANLSNACWFG-FMQUCBEESA-N |
| Molecular Weight |
410.639 g/mol |
| SMILES |
C(OCC(C)CCC)(\C=C\C(OCCCCCCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958355 |
