| SpectraBase Compound ID | BxbG3Bplt6P |
|---|---|
| InChI | InChI=1S/C7H7Cl2N/c1-4-5(8)2-3-6(10)7(4)9/h2-3H,10H2,1H3 |
| InChIKey | FOYMVHMUBKHXLY-UHFFFAOYSA-N |
| Mol Weight | 176.05 g/mol |
| Molecular Formula | C7H7Cl2N |
| Exact Mass | 174.995555 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8spAQykOTBR |
|---|---|
| Name | 2,4-Dichloro-3-methylaniline |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.995554629 u |
| Formula | C7H7Cl2N |
| InChI | InChI=1S/C7H7Cl2N/c1-4-5(8)2-3-6(10)7(4)9/h2-3H,10H2,1H3 |
| InChIKey | FOYMVHMUBKHXLY-UHFFFAOYSA-N |
| SMILES | C1(N)=C(C(=C(C=C1)Cl)C)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.975572 |