| SpectraBase Spectrum ID |
8XyuX0Nwz78 |
| Name |
Fumaric acid, 6-ethyloct-3-yl undecyl 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/c1-5-9-10-11-12-13-14-15-16-21-28-24(26)19-20-25(27)29-23(8-4)18-17-22(6-2)7-3/h19-20,22-23H,5-18,21H2,1-4H3/b20-19+ |
| InChIKey |
CKGNDJXWPNRAOZ-FMQUCBEESA-N |
| Molecular Weight |
410.639 g/mol |
| SMILES |
C(CCCCOC(\C=C\C(OC(CCC(CC)CC)CC)=O)=O)CCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.967056 |
