| SpectraBase Spectrum ID |
FUUBPhg6dvd |
| Name |
Phthalic acid, 2-bromo-4-fluorophenyl phenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
413.990300025 u |
| Formula |
C20H12BrFO4 |
| InChI |
InChI=1S/C20H12BrFO4/c21-17-12-13(22)10-11-18(17)26-20(24)16-9-5-4-8-15(16)19(23)25-14-6-2-1-3-7-14/h1-12H |
| InChIKey |
PQKNGXMMYZZNSB-UHFFFAOYSA-N |
| Molecular Weight |
415.214 g/mol |
| SMILES |
C(OC1=CC=C(C=C1Br)F)(=O)C1=C(C=CC=C1)C(OC1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.938894 |
