| SpectraBase Spectrum ID |
Dpedp5sYqX |
| Name |
Fumaric acid, butyl 4-phenoxybenzyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
354.146723803 u |
| Formula |
C21H22O5 |
| InChI |
InChI=1S/C21H22O5/c1-2-3-15-24-20(22)13-14-21(23)25-16-17-9-11-19(12-10-17)26-18-7-5-4-6-8-18/h4-14H,2-3,15-16H2,1H3/b14-13+ |
| InChIKey |
LFSGXOWDOWBBFO-BUHFOSPRSA-N |
| Molecular Weight |
354.402 g/mol |
| SMILES |
C(\C=C\C(OCCCC)=O)(OCC1=CC=C(OC2=CC=CC=C2)C=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.816047 |
