| SpectraBase Compound ID | 2c6WH5UcQZu |
|---|---|
| InChI | InChI=1S/C9H9BrFNO2/c10-6-3-5(1-2-7(6)11)4-8(12)9(13)14/h1-3,8H,4,12H2,(H,13,14) |
| InChIKey | FZVFOEFLGCXXCP-UHFFFAOYSA-N |
| Mol Weight | 262.08 g/mol |
| Molecular Formula | C9H9BrFNO2 |
| Exact Mass | 260.98007 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 2Bk0ugsOt6J |
|---|---|
| Name | 3-(3-Bromo-4-fluorophenyl)alanine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 260.980069695 u |
| Formula | C9H9BrFNO2 |
| InChI | InChI=1S/C9H9BrFNO2/c10-6-3-5(1-2-7(6)11)4-8(12)9(13)14/h1-3,8H,4,12H2,(H,13,14) |
| InChIKey | FZVFOEFLGCXXCP-UHFFFAOYSA-N |
| Molecular Weight | 262.078 g/mol |
| SMILES | OC(C(CC1=CC=C(C(=C1)Br)F)N)=O |
| Spectrum/Structure Validation Score (Raman) | 0.853527 |