| SpectraBase Spectrum ID |
FGLQubEA7Ep |
| Name |
Phthalic acid, 4-bromophenyl 4-chlorophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
429.960749562 u |
| Formula |
C20H12BrClO4 |
| InChI |
InChI=1S/C20H12BrClO4/c21-13-5-9-15(10-6-13)25-19(23)17-3-1-2-4-18(17)20(24)26-16-11-7-14(22)8-12-16/h1-12H |
| InChIKey |
GNPPBSNHGXCLNX-UHFFFAOYSA-N |
| Molecular Weight |
431.669 g/mol |
| SMILES |
C1(=C(C=CC=C1)C(OC1=CC=C(C=C1)Cl)=O)C(OC1=CC=C(C=C1)Br)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.861069 |
