| SpectraBase Compound ID | EytsecBt1f |
|---|---|
| InChI | InChI=1S/C9H8BrClO/c1-6(9(11)12)7-2-4-8(10)5-3-7/h2-6H,1H3 |
| InChIKey | OTVSGUXUQHZGNR-UHFFFAOYSA-N |
| Mol Weight | 247.52 g/mol |
| Molecular Formula | C9H8BrClO |
| Exact Mass | 245.944706 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3EtfhMZKXfo |
|---|---|
| Name | Propanoyl chloride, 2-(4-bromophenyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 245.944705577 u |
| Formula | C9H8BrClO |
| InChI | InChI=1S/C9H8BrClO/c1-6(9(11)12)7-2-4-8(10)5-3-7/h2-6H,1H3 |
| InChIKey | OTVSGUXUQHZGNR-UHFFFAOYSA-N |
| Molecular Weight | 247.519 g/mol |
| SMILES | C1(Br)=CC=C(C(C(=O)Cl)C)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.820109 |