| SpectraBase Compound ID | 3enZYN3PsgZ |
|---|---|
| InChI | InChI=1S/C9H8Cl3NO/c1-14-8-4-2-7(3-5-8)13-6-9(10,11)12/h2-6H,1H3/b13-6+ |
| InChIKey | NUBYINQRVDTFPS-AWNIVKPZSA-N |
| Mol Weight | 252.53 g/mol |
| Molecular Formula | C9H8Cl3NO |
| Exact Mass | 250.967147 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4wYycYJJWsZ |
|---|---|
| Name | N-(2,2,2-Trichloroethylidene)-4-methoxyaniline |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.967146981 u |
| Formula | C9H8Cl3NO |
| InChI | InChI=1S/C9H8Cl3NO/c1-14-8-4-2-7(3-5-8)13-6-9(10,11)12/h2-6H,1H3/b13-6+ |
| InChIKey | NUBYINQRVDTFPS-AWNIVKPZSA-N |
| SMILES | c1(ccc(cc1)\N=C\C(Cl)(Cl)Cl)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.849378 |