| SpectraBase Compound ID | HRRK43R2bGx |
|---|---|
| InChI | InChI=1S/C13H10ClN3O3/c14-11-8-10(17(19)20)6-7-12(11)16-13(18)15-9-4-2-1-3-5-9/h1-8H,(H2,15,16,18) |
| InChIKey | WCDDPWRCSNFDFR-UHFFFAOYSA-N |
| Mol Weight | 291.69 g/mol |
| Molecular Formula | C13H10ClN3O3 |
| Exact Mass | 291.041069 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | JyNcAv0tuc6 |
|---|---|
| Name | 2-Chloro-4-nitrocarbanilide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 291.041068891 u |
| Formula | C13H10ClN3O3 |
| InChI | InChI=1S/C13H10ClN3O3/c14-11-8-10(17(19)20)6-7-12(11)16-13(18)15-9-4-2-1-3-5-9/h1-8H,(H2,15,16,18) |
| InChIKey | WCDDPWRCSNFDFR-UHFFFAOYSA-N |
| SMILES | N(C=1C=CC=CC1)C(NC1=C(C=C(C=C1)N(=O)=O)Cl)=O |
| Spectrum/Structure Validation Score (Raman) | 0.747895 |