| SpectraBase Compound ID | Grv6XSnXouH |
|---|---|
| InChI | InChI=1S/C8H7BrCl2O/c9-3-4-12-8-2-1-6(10)5-7(8)11/h1-2,5H,3-4H2 |
| InChIKey | OEYZGSRLAGSENP-UHFFFAOYSA-N |
| Mol Weight | 269.95 g/mol |
| Molecular Formula | C8H7BrCl2O |
| Exact Mass | 267.905733 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | Dk7ZDCqsH5W |
|---|---|
| Name | Phenetole, B-bromo-2,4-dichloro-, |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 267.905733244 u |
| Formula | C8H7BrCl2O |
| InChI | InChI=1S/C8H7BrCl2O/c9-3-4-12-8-2-1-6(10)5-7(8)11/h1-2,5H,3-4H2 |
| InChIKey | OEYZGSRLAGSENP-UHFFFAOYSA-N |
| SMILES | C(OC1=CC=C(Cl)C=C1Cl)CBr |
| Spectrum/Structure Validation Score (Raman) | 0.874288 |