| SpectraBase Compound ID | DQTNxTp3Iz2 |
|---|---|
| InChI | InChI=1S/C9H6BrN/c10-9-6-2-1-4-8(9)5-3-7-11/h1-6H/b5-3- |
| InChIKey | SXLNELZOTPFMFL-HYXAFXHYSA-N |
| Mol Weight | 208.06 g/mol |
| Molecular Formula | C9H6BrN |
| Exact Mass | 206.968362 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4LEjqRRP0fz |
|---|---|
| Name | 2-Propenenitrile, 3-(2-bromophenyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.968362197 u |
| Formula | C9H6BrN |
| InChI | InChI=1S/C9H6BrN/c10-9-6-2-1-4-8(9)5-3-7-11/h1-6H/b5-3- |
| InChIKey | SXLNELZOTPFMFL-HYXAFXHYSA-N |
| Molecular Weight | 208.058 g/mol |
| SMILES | C1(=C(C=CC=C1)Br)\C=C/C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.952197 |