| SpectraBase Compound ID | Lqv1rJj8Kx7 |
|---|---|
| InChI | InChI=1S/C9H10BrClO/c10-6-1-7-12-9-4-2-8(11)3-5-9/h2-5H,1,6-7H2 |
| InChIKey | QVEAVDHTWIVBSX-UHFFFAOYSA-N |
| Mol Weight | 249.53 g/mol |
| Molecular Formula | C9H10BrClO |
| Exact Mass | 247.960356 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | A3k6Rge3LzJ |
|---|---|
| Name | 3-Bromopropyl p-chlorophenyl ether |
| 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/c10-6-1-7-12-9-4-2-8(11)3-5-9/h2-5H,1,6-7H2 |
| InChIKey | QVEAVDHTWIVBSX-UHFFFAOYSA-N |
| Molecular Weight | 249.535 g/mol |
| SMILES | C(Br)CCOC1=CC=C(Cl)C=C1 |
| Spectrum/Structure Validation Score (Raman) | 0.888262 |