| SpectraBase Compound ID | 6aOpu5n5Y9S |
|---|---|
| InChI | InChI=1S/C8H5Br2N/c9-8(10)7-4-2-1-3-6(7)5-11/h1-4,8H |
| InChIKey | ZTKABDVLVSBGQD-UHFFFAOYSA-N |
| Mol Weight | 274.94 g/mol |
| Molecular Formula | C8H5Br2N |
| Exact Mass | 272.878875 g/mol |
Raman Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | DnmtDkG7pqk |
|---|---|
| Name | alpha,alpha-Dibromo-o-tolunitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.878875165 u |
| Formula | C8H5Br2N |
| InChI | InChI=1S/C8H5Br2N/c9-8(10)7-4-2-1-3-6(7)5-11/h1-4,8H |
| InChIKey | ZTKABDVLVSBGQD-UHFFFAOYSA-N |
| Molecular Weight | 274.943 g/mol |
| SMILES | C=1C=CC=C(C1C#N)C(Br)Br |
| Spectrum/Structure Validation Score (Raman) | 0.936589 |