| SpectraBase Compound ID | F8JVsKaC2ae |
|---|---|
| InChI | InChI=1S/C9H9ClN2O2/c10-5-8(13)12-7-4-2-1-3-6(7)9(11)14/h1-4H,5H2,(H2,11,14)(H,12,13) |
| InChIKey | LCDQTZCLXUMOGO-UHFFFAOYSA-N |
| Mol Weight | 212.64 g/mol |
| Molecular Formula | C9H9ClN2O2 |
| Exact Mass | 212.035255 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | HvhZhPPThDr |
|---|---|
| Name | 2'-Carbamoyl-2-chloroacetanilide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.035255236 u |
| Formula | C9H9ClN2O2 |
| InChI | InChI=1S/C9H9ClN2O2/c10-5-8(13)12-7-4-2-1-3-6(7)9(11)14/h1-4H,5H2,(H2,11,14)(H,12,13) |
| InChIKey | LCDQTZCLXUMOGO-UHFFFAOYSA-N |
| Molecular Weight | 212.636 g/mol |
| SMILES | NC(C1=C(C=CC=C1)NC(=O)CCl)=O |
| Spectrum/Structure Validation Score (Raman) | 0.966868 |