| SpectraBase Spectrum ID |
IvQOxnXoMoF |
| Name |
Fumaric acid, 2,6-dimethoxyphenyl 2-fluorophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
346.085266360 u |
| Formula |
C18H15FO6 |
| InChI |
InChI=1S/C18H15FO6/c1-22-14-8-5-9-15(23-2)18(14)25-17(21)11-10-16(20)24-13-7-4-3-6-12(13)19/h3-11H,1-2H3/b11-10+ |
| InChIKey |
GPRRCJQCBVYZMB-ZHACJKMWSA-N |
| Molecular Weight |
346.310 g/mol |
| SMILES |
C(\C=C\C(OC1=CC=CC=C1F)=O)(OC1=C(C=CC=C1OC)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.893451 |
