| SpectraBase Compound ID | EuVfAc4XQF7 |
|---|---|
| InChI | InChI=1S/C8H6ClN/c1-6-2-3-8(9)4-7(6)5-10/h2-4H,1H3 |
| InChIKey | HFBZPKYQUFLCEL-UHFFFAOYSA-N |
| Mol Weight | 151.6 g/mol |
| Molecular Formula | C8H6ClN |
| Exact Mass | 151.018877 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 | FcXX5PBtxxe |
|---|---|
| Name | 5-Chloro-2-methylbenzonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 151.018876897 u |
| Formula | C8H6ClN |
| InChI | InChI=1S/C8H6ClN/c1-6-2-3-8(9)4-7(6)5-10/h2-4H,1H3 |
| InChIKey | HFBZPKYQUFLCEL-UHFFFAOYSA-N |
| Molecular Weight | 151.596 g/mol |
| SMILES | C1(=C(C=C(C=C1)Cl)C#N)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.931652 |