| SpectraBase Spectrum ID |
51iTv1WRQ4X |
| Name |
Fumaric acid, dodecyl 3-phenylpropyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
402.277009700 u |
| Formula |
C25H38O4 |
| InChI |
InChI=1S/C25H38O4/c1-2-3-4-5-6-7-8-9-10-14-21-28-24(26)19-20-25(27)29-22-15-18-23-16-12-11-13-17-23/h11-13,16-17,19-20H,2-10,14-15,18,21-22H2,1H3/b20-19+ |
| InChIKey |
USNHEMDMTFRHHS-FMQUCBEESA-N |
| Molecular Weight |
402.575 g/mol |
| SMILES |
C(CCOC(\C=C\C(OCCCC1=CC=CC=C1)=O)=O)CCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952322 |
