| SpectraBase Spectrum ID |
J43Lk7GK08d |
| Name |
Fumaric acid, 3,4-dimethylphenyl dodecyl 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/c1-4-5-6-7-8-9-10-11-12-13-18-27-23(25)16-17-24(26)28-22-15-14-20(2)21(3)19-22/h14-17,19H,4-13,18H2,1-3H3/b17-16+ |
| InChIKey |
UQJGCMAFYFAJSI-WUKNDPDISA-N |
| Molecular Weight |
388.548 g/mol |
| SMILES |
C(CCCCCOC(\C=C\C(OC1=CC=C(C)C(C)=C1)=O)=O)CCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.83405 |
