| SpectraBase Spectrum ID |
HnUy4TF1d13 |
| Name |
Fumaric acid, 2-isopropylphenyl pentadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
444.323959893 u |
| Formula |
C28H44O4 |
| InChI |
InChI=1S/C28H44O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-23-31-27(29)21-22-28(30)32-26-20-17-16-19-25(26)24(2)3/h16-17,19-22,24H,4-15,18,23H2,1-3H3/b22-21+ |
| InChIKey |
UNVSHDASTHGTON-QURGRASLSA-N |
| Molecular Weight |
444.656 g/mol |
| SMILES |
C1=C(C(=CC=C1)OC(\C=C\C(OCCCCCCCCCCCCCCC)=O)=O)C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.811648 |
