| SpectraBase Compound ID | CfmlzouMo3D |
|---|---|
| InChI | InChI=1S/C10H9Cl2NO2/c1-2-5-15-10(14)13-7-3-4-8(11)9(12)6-7/h2-4,6H,1,5H2,(H,13,14) |
| InChIKey | JNTMNFBKCXOUGZ-UHFFFAOYSA-N |
| Mol Weight | 246.09 g/mol |
| Molecular Formula | C10H9Cl2NO2 |
| Exact Mass | 245.001034 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | auLuS9cXu5 |
|---|---|
| Name | 3,4-Dichlorocarbanilic acid, allyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 245.001033932 u |
| Formula | C10H9Cl2NO2 |
| InChI | InChI=1S/C10H9Cl2NO2/c1-2-5-15-10(14)13-7-3-4-8(11)9(12)6-7/h2-4,6H,1,5H2,(H,13,14) |
| InChIKey | JNTMNFBKCXOUGZ-UHFFFAOYSA-N |
| SMILES | N(C1=CC=C(C(=C1)Cl)Cl)C(OCC=C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.809025 |