| SpectraBase Spectrum ID |
GPmtNyzbqZk |
| Name |
6'-Chloro-2-{[2-(dibutylamino)ethyl]thio}-o-acetotoluidide, monohydrochloride |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
406.161240231 u |
| Formula |
C19H32Cl2N2OS |
| InChI |
InChI=1S/C19H31ClN2OS.ClH/c1-4-6-11-22(12-7-5-2)13-14-24-15-18(23)21-19-16(3)9-8-10-17(19)20;/h8-10H,4-7,11-15H2,1-3H3,(H,21,23);1H |
| InChIKey |
ANTGGBSJOHYBOK-UHFFFAOYSA-N |
| Molecular Weight |
407.444 g/mol |
| SMILES |
Cl.N(C1=C(C=CC=C1Cl)C)C(CSCCN(CCCC)CCCC)=O |
| Spectrum/Structure Validation Score (Raman) |
0.90276 |
![6'-Chloro-2-{[2-(dibutylamino)ethyl]thio}-o-acetotoluidide, monohydrochloride](/api/spectrum/GPmtNyzbqZk/structure.png?h=300&w=458 "6'-Chloro-2-{[2-(dibutylamino)ethyl]thio}-o-acetotoluidide, monohydrochloride")
