![4,4'-Methylenebis[2,3-dichloroaniline]](/api/spectrum/Hyq7t4XtvRQ/structure.png?h=300&w=458 "4,4'-Methylenebis[2,3-dichloroaniline]")
| SpectraBase Compound ID | IzJjVsPIgCK |
|---|---|
| InChI | InChI=1S/C13H10Cl4N2/c14-10-6(1-3-8(18)12(10)16)5-7-2-4-9(19)13(17)11(7)15/h1-4H,5,18-19H2 |
| InChIKey | PPUHQXZSLCCTAN-UHFFFAOYSA-N |
| Mol Weight | 336.0 g/mol |
| Molecular Formula | C13H10Cl4N2 |
| Exact Mass | 333.959809 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | Hyq7t4XtvRQ |
|---|---|
| Name | 4,4'-Methylenebis[2,3-dichloroaniline] |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 333.959809130 u |
| Formula | C13H10Cl4N2 |
| InChI | InChI=1S/C13H10Cl4N2/c14-10-6(1-3-8(18)12(10)16)5-7-2-4-9(19)13(17)11(7)15/h1-4H,5,18-19H2 |
| InChIKey | PPUHQXZSLCCTAN-UHFFFAOYSA-N |
| SMILES | NC=1C=CC(CC2=CC=C(C(=C2Cl)Cl)N)=C(C1Cl)Cl |
| Spectrum/Structure Validation Score (Raman) | 0.944101 |