| SpectraBase Compound ID | F1kqkaXvo3A |
|---|---|
| InChI | InChI=1S/C10H8ClNO/c11-9-5-3-8(4-6-9)10(13)2-1-7-12/h3-6H,1-2H2 |
| InChIKey | UJXMMEVNYHPAPU-UHFFFAOYSA-N |
| Mol Weight | 193.63 g/mol |
| Molecular Formula | C10H8ClNO |
| Exact Mass | 193.029442 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 | 8HKUDgNW5pA |
|---|---|
| Name | Butanenitrile, 4-(4-chlorophenyl)-4-oxo- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 193.029441581 u |
| Formula | C10H8ClNO |
| InChI | InChI=1S/C10H8ClNO/c11-9-5-3-8(4-6-9)10(13)2-1-7-12/h3-6H,1-2H2 |
| InChIKey | UJXMMEVNYHPAPU-UHFFFAOYSA-N |
| Molecular Weight | 193.633 g/mol |
| SMILES | C(C(C1=CC=C(C=C1)Cl)=O)CC#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.922745 |