| SpectraBase Compound ID | 90Bd73HfCgw |
|---|---|
| InChI | InChI=1S/C9H8ClNO/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6H,(H2,11,12)/b6-3+ |
| InChIKey | PWXPFYVNYKVJBW-ZZXKWVIFSA-N |
| Mol Weight | 181.62 g/mol |
| Molecular Formula | C9H8ClNO |
| Exact Mass | 181.029442 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | GhRP49CyL5X |
|---|---|
| Name | 2-Propenamide, 3-(4-chlorophenyl)-; p-chlorocinnamamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 181.029441581 u |
| Formula | C9H8ClNO |
| InChI | InChI=1S/C9H8ClNO/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6H,(H2,11,12)/b6-3+ |
| InChIKey | PWXPFYVNYKVJBW-ZZXKWVIFSA-N |
| Molecular Weight | 181.622 g/mol |
| SMILES | NC(\C=C\C1=CC=C(C=C1)Cl)=O |
| Spectrum/Structure Validation Score (Raman) | 0.967305 |