| SpectraBase Spectrum ID |
53K6SiqPBtd |
| Name |
Fumaric acid, dodecyl 2-phenylethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
388.261359635 u |
| Formula |
C24H36O4 |
| InChI |
InChI=1S/C24H36O4/c1-2-3-4-5-6-7-8-9-10-14-20-27-23(25)17-18-24(26)28-21-19-22-15-12-11-13-16-22/h11-13,15-18H,2-10,14,19-21H2,1H3/b18-17+ |
| InChIKey |
JLRJVBMIBCUQHL-ISLYRVAYSA-N |
| Molecular Weight |
388.548 g/mol |
| SMILES |
C(CCOC(\C=C\C(OCCC1=CC=CC=C1)=O)=O)CCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94021 |
