| SpectraBase Compound ID | 6PI8dAANF6B |
|---|---|
| InChI | InChI=1S/C9H10BrClO/c10-6-8(11)7-12-9-4-2-1-3-5-9/h1-5,8H,6-7H2 |
| InChIKey | YLCCROPYISNEOC-UHFFFAOYSA-N |
| Mol Weight | 249.53 g/mol |
| Molecular Formula | C9H10BrClO |
| Exact Mass | 247.960356 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IwkQPepS96W |
|---|---|
| Name | (3-Bromo-2-chloropropoxy)benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 247.960355641 u |
| Formula | C9H10BrClO |
| InChI | InChI=1S/C9H10BrClO/c10-6-8(11)7-12-9-4-2-1-3-5-9/h1-5,8H,6-7H2 |
| InChIKey | YLCCROPYISNEOC-UHFFFAOYSA-N |
| Molecular Weight | 249.535 g/mol |
| SMILES | C=1(OCC(CBr)Cl)C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.930276 |