| SpectraBase Compound ID | 2yoMm2H4FPD |
|---|---|
| InChI | InChI=1S/C13H8BrClO2/c14-10-3-7-12(8-4-10)17-11-5-1-9(2-6-11)13(15)16/h1-8H |
| InChIKey | YQCFCFCTLUJZCG-UHFFFAOYSA-N |
| Mol Weight | 311.56 g/mol |
| Molecular Formula | C13H8BrClO2 |
| Exact Mass | 309.93962 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | KyIGzyPxcS3 |
|---|---|
| Name | p-(p-Bromophenoxy)benzoyl chloride |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 309.939620196 u |
| Formula | C13H8BrClO2 |
| InChI | InChI=1S/C13H8BrClO2/c14-10-3-7-12(8-4-10)17-11-5-1-9(2-6-11)13(15)16/h1-8H |
| InChIKey | YQCFCFCTLUJZCG-UHFFFAOYSA-N |
| Molecular Weight | 311.562 g/mol |
| SMILES | C=1C(=CC=C(C1)Br)OC=1C=CC(=CC1)C(Cl)=O |
| Spectrum/Structure Validation Score (Raman) | 0.94634 |