| SpectraBase Compound ID | 2gCsieMhGSN |
|---|---|
| InChI | InChI=1S/C8H9ClN2O2/c1-10-5-6-4-7(11(12)13)2-3-8(6)9/h2-4,10H,5H2,1H3 |
| InChIKey | YRTNCUPHKWUHMQ-UHFFFAOYSA-N |
| Mol Weight | 200.62 g/mol |
| Molecular Formula | C8H9ClN2O2 |
| Exact Mass | 200.035255 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1sH0cSLO3H8 |
|---|---|
| Name | N-(2-Chloro-5-nitrobenzyl)-N-methylamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.035255236 u |
| Formula | C8H9ClN2O2 |
| InChI | InChI=1S/C8H9ClN2O2/c1-10-5-6-4-7(11(12)13)2-3-8(6)9/h2-4,10H,5H2,1H3 |
| InChIKey | YRTNCUPHKWUHMQ-UHFFFAOYSA-N |
| Molecular Weight | 200.625 g/mol |
| SMILES | C1(Cl)=C(C=C(C=C1)N(=O)=O)CNC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.920562 |