| SpectraBase Spectrum ID |
Cqt1NAasd2V |
| Name |
1,2-Benzenediol, o-(4-chlorobenzoyl)-o'-(4-bromobenzoyl)- |
| 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/c21-15-9-5-13(6-10-15)19(23)25-17-3-1-2-4-18(17)26-20(24)14-7-11-16(22)12-8-14/h1-12H |
| InChIKey |
DIKLITLFCIJVHF-UHFFFAOYSA-N |
| Molecular Weight |
431.669 g/mol |
| SMILES |
C1(=CC=CC=C1OC(=O)C1=CC=C(C=C1)Br)OC(=O)C1=CC=C(C=C1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.88799 |
