| SpectraBase Spectrum ID |
5jDYt6M7Vcb |
| Name |
Fumaric acid, 2-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/c1-21-14-8-4-5-9-15(14)23-17(20)11-10-16(19)22-13-7-3-2-6-12(13)18/h2-11H,1H3/b11-10+ |
| InChIKey |
VDWGEXSGTUTYMO-ZHACJKMWSA-N |
| Molecular Weight |
316.284 g/mol |
| SMILES |
C(\C=C\C(OC1=CC=CC=C1F)=O)(OC1=C(OC)C=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.900863 |
