| SpectraBase Spectrum ID |
8MrgbqDpan |
| Name |
2-Fluoroisophthalic acid, diphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
336.079787058 u |
| Formula |
C20H13FO4 |
| InChI |
InChI=1S/C20H13FO4/c21-18-16(19(22)24-14-8-3-1-4-9-14)12-7-13-17(18)20(23)25-15-10-5-2-6-11-15/h1-13H |
| InChIKey |
WVTIWLYDIVQAJU-UHFFFAOYSA-N |
| Molecular Weight |
336.318 g/mol |
| SMILES |
C=1C(=CC=CC1)OC(C=1C(=C(C=CC1)C(OC=1C=CC=CC1)=O)F)=O |
| Spectrum/Structure Validation Score (Raman) |
0.871207 |
