![3,4-Dimethoxy-6-[bis-chloroethyl]amino toluene](/api/spectrum/IileTpgucaP/structure.png?h=300&w=458 "3,4-Dimethoxy-6-[bis-chloroethyl]amino toluene")
| SpectraBase Compound ID | 8RC3QeposQf |
|---|---|
| InChI | InChI=1S/C13H19Cl2NO2/c1-10-8-12(17-2)13(18-3)9-11(10)16(6-4-14)7-5-15/h8-9H,4-7H2,1-3H3 |
| InChIKey | XMOBXOXVSSUYHD-UHFFFAOYSA-N |
| Mol Weight | 292.21 g/mol |
| Molecular Formula | C13H19Cl2NO2 |
| Exact Mass | 291.079284 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IileTpgucaP |
|---|---|
| Name | 3,4-Dimethoxy-6-[bis-chloroethyl]amino toluene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 291.079284254 u |
| Formula | C13H19Cl2NO2 |
| InChI | InChI=1S/C13H19Cl2NO2/c1-10-8-12(17-2)13(18-3)9-11(10)16(6-4-14)7-5-15/h8-9H,4-7H2,1-3H3 |
| InChIKey | XMOBXOXVSSUYHD-UHFFFAOYSA-N |
| SMILES | C1(OC)=C(C=C(C(=C1)C)N(CCCl)CCCl)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.967133 |