| SpectraBase Spectrum ID |
IhFFwpHHRRN |
| Name |
Phthalic acid, 2-bromo-4-fluorophenyl 3-methylphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
428.005950090 u |
| Formula |
C21H14BrFO4 |
| InChI |
InChI=1S/C21H14BrFO4/c1-13-5-4-6-15(11-13)26-20(24)16-7-2-3-8-17(16)21(25)27-19-10-9-14(23)12-18(19)22/h2-12H,1H3 |
| InChIKey |
WYCFOANLVQNXRA-UHFFFAOYSA-N |
| Molecular Weight |
429.241 g/mol |
| SMILES |
C1(=C(C=CC=C1)C(OC1=CC=C(C=C1Br)F)=O)C(OC1=CC(C)=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.849202 |
