| SpectraBase Spectrum ID |
ERb3c5Jrknf |
| Name |
Fumaric acid, dodecyl 2-isopropylphenyl 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/c1-4-5-6-7-8-9-10-11-12-15-20-28-24(26)18-19-25(27)29-23-17-14-13-16-22(23)21(2)3/h13-14,16-19,21H,4-12,15,20H2,1-3H3/b19-18+ |
| InChIKey |
LJDWZKCGTVSJOH-VHEBQXMUSA-N |
| Molecular Weight |
402.575 g/mol |
| SMILES |
C(\C=C\C(OC1=C(C=CC=C1)C(C)C)=O)(OCCCCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.872768 |
