| SpectraBase Spectrum ID |
IgW2w9o2BJ7 |
| Name |
3',4'-Dichlorosalicylanilide, o-ester with diethylthiocarbamate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
396.046604400 u |
| Formula |
C18H18Cl2N2O2S |
| InChI |
InChI=1S/C18H18Cl2N2O2S/c1-3-22(4-2)18(25)24-16-8-6-5-7-13(16)17(23)21-12-9-10-14(19)15(20)11-12/h5-11H,3-4H2,1-2H3,(H,21,23) |
| InChIKey |
AKSTUGMHXQLZDI-UHFFFAOYSA-N |
| Molecular Weight |
397.320 g/mol |
| SMILES |
N(C1=CC=C(C(=C1)Cl)Cl)C(C=1C(=CC=CC1)OC(=S)N(CC)CC)=O |
| Spectrum/Structure Validation Score (Raman) |
0.745777 |
