| SpectraBase Spectrum ID |
G0mGnpGaYL |
| Name |
Fumaric acid, isobutyl phenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
248.104858991 u |
| Formula |
C14H16O4 |
| InChI |
InChI=1S/C14H16O4/c1-11(2)10-17-13(15)8-9-14(16)18-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3/b9-8+ |
| InChIKey |
RDVLXTUIMKJDQX-CMDGGOBGSA-N |
| Molecular Weight |
248.278 g/mol |
| SMILES |
CC(COC(\C=C\C(OC1=CC=CC=C1)=O)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.86443 |
