| SpectraBase Compound ID | 2Z6xvpAD8nT |
|---|---|
| InChI | InChI=1S/C12H8BrNO/c13-11-5-3-9(4-6-11)12(15)10-2-1-7-14-8-10/h1-8H |
| InChIKey | IDGVUIHZWDVXOQ-UHFFFAOYSA-N |
| Mol Weight | 262.11 g/mol |
| Molecular Formula | C12H8BrNO |
| Exact Mass | 260.978927 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 8Pvg7jxwhXl |
|---|---|
| Name | Methanone, (4-bromophenyl)-3-pyridinyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 260.978926881 u |
| Formula | C12H8BrNO |
| InChI | InChI=1S/C12H8BrNO/c13-11-5-3-9(4-6-11)12(15)10-2-1-7-14-8-10/h1-8H |
| InChIKey | IDGVUIHZWDVXOQ-UHFFFAOYSA-N |
| Molecular Weight | 262.106 g/mol |
| SMILES | C(=O)(C1=CC=CN=C1)C1=CC=C(Br)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.864863 |