| SpectraBase Compound ID | I9W3T65wZFT |
|---|---|
| InChI | InChI=1S/C9H8ClNO/c1-2-9(12)11-8-5-3-7(10)4-6-8/h2-6H,1H2,(H,11,12) |
| InChIKey | JEPAGMKWFWQECH-UHFFFAOYSA-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 | Grc1n94R9rA |
|---|---|
| Name | 4'-Chloroacrylanilide |
| 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/c1-2-9(12)11-8-5-3-7(10)4-6-8/h2-6H,1H2,(H,11,12) |
| InChIKey | JEPAGMKWFWQECH-UHFFFAOYSA-N |
| Molecular Weight | 181.622 g/mol |
| SMILES | N(C(=O)C=C)C1=CC=C(C=C1)Cl |
| Spectrum/Structure Validation Score (Raman) | 0.90146 |