| SpectraBase Compound ID | JnyX5Oz1YpN |
|---|---|
| InChI | InChI=1S/C13H10BrN/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-10H/b15-10+ |
| InChIKey | DJGDQBWKJYPZEF-XNTDXEJSSA-N |
| Mol Weight | 260.13 g/mol |
| Molecular Formula | C13H10BrN |
| Exact Mass | 258.999662 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 3Rkd1WGkXgU |
|---|---|
| Name | N-Benzylidene-p-bromoaniline |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.999662326 u |
| Formula | C13H10BrN |
| InChI | InChI=1S/C13H10BrN/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-10H/b15-10+ |
| InChIKey | DJGDQBWKJYPZEF-XNTDXEJSSA-N |
| Molecular Weight | 260.134 g/mol |
| SMILES | C=1C=C(Br)C=CC1\N=C\C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Raman) | 0.949374 |