| SpectraBase Spectrum ID |
2hDMssR9h55 |
| Name |
2-{[2-(Dibutylamino)ethyl]thio}-2',5'-dichloroacetanildie, monohydrochloride |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
426.106617835 u |
| Formula |
C18H29Cl3N2OS |
| InChI |
InChI=1S/C18H28Cl2N2OS.ClH/c1-3-5-9-22(10-6-4-2)11-12-24-14-18(23)21-17-13-15(19)7-8-16(17)20;/h7-8,13H,3-6,9-12,14H2,1-2H3,(H,21,23);1H |
| InChIKey |
PJLDGKHGAHFJPA-UHFFFAOYSA-N |
| Molecular Weight |
427.862 g/mol |
| SMILES |
Cl.N(C1=CC(=CC=C1Cl)Cl)C(CSCCN(CCCC)CCCC)=O |
| Spectrum/Structure Validation Score (Raman) |
0.90764 |
![2-{[2-(Dibutylamino)ethyl]thio}-2',5'-dichloroacetanildie, monohydrochloride](/api/spectrum/2hDMssR9h55/structure.png?h=300&w=458 "2-{[2-(Dibutylamino)ethyl]thio}-2',5'-dichloroacetanildie, monohydrochloride")
