| SpectraBase Compound ID | I69TJlY1KW5 |
|---|---|
| InChI | InChI=1S/C9H8BrNO/c10-8-4-2-1-3-7(8)9(12)5-6-11/h1-4,9,12H,5H2 |
| InChIKey | ALUVWTGBSPVXNI-UHFFFAOYSA-N |
| Mol Weight | 226.07 g/mol |
| Molecular Formula | C9H8BrNO |
| Exact Mass | 224.978927 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 | KqpmGI6pbnn |
|---|---|
| Name | 3-(2-Bromophenyl)-3-hydroxypropanenitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.978926881 u |
| Formula | C9H8BrNO |
| InChI | InChI=1S/C9H8BrNO/c10-8-4-2-1-3-7(8)9(12)5-6-11/h1-4,9,12H,5H2 |
| InChIKey | ALUVWTGBSPVXNI-UHFFFAOYSA-N |
| Molecular Weight | 226.073 g/mol |
| SMILES | C(CC(O)C=1C(=CC=CC1)Br)#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.940406 |