| SpectraBase Spectrum ID |
GzlpHLpVyRh |
| Name |
Fumaric acid, 4-methoxyphenyl 2-fluorophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
316.074701677 u |
| Formula |
C17H13FO5 |
| InChI |
InChI=1S/C17H13FO5/c1-21-12-6-8-13(9-7-12)22-16(19)10-11-17(20)23-15-5-3-2-4-14(15)18/h2-11H,1H3/b11-10+ |
| InChIKey |
GDDLKFXMRSJHNI-ZHACJKMWSA-N |
| Molecular Weight |
316.284 g/mol |
| SMILES |
C(\C=C\C(OC1=CC=CC=C1F)=O)(OC1=CC=C(C=C1)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.904199 |
