| SpectraBase Compound ID | ETO5dE1lpIC |
|---|---|
| InChI | InChI=1S/C13H12BrNO/c14-11-5-3-6-12(8-11)15-9-10-4-1-2-7-13(10)16/h1-8,15-16H,9H2 |
| InChIKey | SWSKVMLCFJTTNC-UHFFFAOYSA-N |
| Mol Weight | 278.15 g/mol |
| Molecular Formula | C13H12BrNO |
| Exact Mass | 277.010227 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | BU493cQtD3W |
|---|---|
| Name | alpha-(m-Bromanilino)-o-cresol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 277.010227009 u |
| Formula | C13H12BrNO |
| InChI | InChI=1S/C13H12BrNO/c14-11-5-3-6-12(8-11)15-9-10-4-1-2-7-13(10)16/h1-8,15-16H,9H2 |
| InChIKey | SWSKVMLCFJTTNC-UHFFFAOYSA-N |
| Molecular Weight | 278.149 g/mol |
| SMILES | N(CC=1C(=CC=CC1)O)C=1C=CC=C(C1)Br |
| Spectrum/Structure Validation Score (Raman) | 0.85148 |