| SpectraBase Spectrum ID |
7jOECtn83yt |
| Name |
Phthalic acid, 2-bromo-5-fluorobenzyl ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
380.005950090 u |
| Formula |
C17H14BrFO4 |
| InChI |
InChI=1S/C17H14BrFO4/c1-2-22-16(20)13-5-3-4-6-14(13)17(21)23-10-11-9-12(19)7-8-15(11)18/h3-9H,2,10H2,1H3 |
| InChIKey |
DZYCRBUFYPGYLT-UHFFFAOYSA-N |
| Molecular Weight |
381.197 g/mol |
| SMILES |
C(C1=CC=CC=C1C(=O)OCC=1C(Br)=CC=C(F)C1)(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.808952 |
