| SpectraBase Compound ID | 420SWF197X7 |
|---|---|
| InChI | InChI=1S/C11H16ClN/c1-4-13(5-2)10-6-7-11(12)9(3)8-10/h6-8H,4-5H2,1-3H3 |
| InChIKey | GGQHFPRMZKOJNB-UHFFFAOYSA-N |
| Mol Weight | 197.71 g/mol |
| Molecular Formula | C11H16ClN |
| Exact Mass | 197.097127 g/mol |
| SpectraBase Spectrum ID | AfoMcOSnliT |
|---|---|
| Name | Benzenamine, 4-chloro-N,N-diethyl-3-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 197.097127219 u |
| Formula | C11H16ClN |
| InChI | InChI=1S/C11H16ClN/c1-4-13(5-2)10-6-7-11(12)9(3)8-10/h6-8H,4-5H2,1-3H3 |
| InChIKey | GGQHFPRMZKOJNB-UHFFFAOYSA-N |
| Molecular Weight | 197.709 g/mol |
| SMILES | CCN(CC)C1=CC=C(Cl)C(C)=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.826006 |