| SpectraBase Compound ID | izrnm725oc |
|---|---|
| InChI | InChI=1S/C9H12ClNO2/c1-12-8-4-7(10)9(13-2)3-6(8)5-11/h3-4H,5,11H2,1-2H3 |
| InChIKey | LTFKAPKDWJBBMW-UHFFFAOYSA-N |
| Mol Weight | 201.65 g/mol |
| Molecular Formula | C9H12ClNO2 |
| Exact Mass | 201.055656 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1b3tzRCf4SP |
|---|---|
| Name | (4-Chloro-2,5-dimethoxyphenyl)methanamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 201.055656328 u |
| Formula | C9H12ClNO2 |
| InChI | InChI=1S/C9H12ClNO2/c1-12-8-4-7(10)9(13-2)3-6(8)5-11/h3-4H,5,11H2,1-2H3 |
| InChIKey | LTFKAPKDWJBBMW-UHFFFAOYSA-N |
| Molecular Weight | 201.653 g/mol |
| SMILES | C1=C(C(CN)=CC(=C1Cl)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.949183 |