| SpectraBase Compound ID | E5UOTPN4t2N |
|---|---|
| InChI | InChI=1S/C9H6BrClO/c10-8-3-1-7(2-4-8)9(12)5-6-11/h1-6H/b6-5+ |
| InChIKey | RXPBSMJSLNBUBZ-AATRIKPKSA-N |
| Mol Weight | 245.5 g/mol |
| Molecular Formula | C9H6BrClO |
| Exact Mass | 243.929056 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | GNwasHWAOkQ |
|---|---|
| Name | Trans-4'-bromo-3-chloroacrylophenone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 243.929055512 u |
| Formula | C9H6BrClO |
| InChI | InChI=1S/C9H6BrClO/c10-8-3-1-7(2-4-8)9(12)5-6-11/h1-6H/b6-5+ |
| InChIKey | RXPBSMJSLNBUBZ-AATRIKPKSA-N |
| Molecular Weight | 245.503 g/mol |
| SMILES | C=1C(=CC=C(C1)Br)C(\C=C\Cl)=O |
| Spectrum/Structure Validation Score (Raman) | 0.922968 |