| SpectraBase Spectrum ID |
1IpIq9tyRo4 |
| Name |
2-Anilino-2',5'-dichloro-2-(ethylthio)acetoacetanilide |
| 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/c1-3-25-18(12(2)23,22-14-7-5-4-6-8-14)17(24)21-16-11-13(19)9-10-15(16)20/h4-11,22H,3H2,1-2H3,(H,21,24) |
| InChIKey |
XSUOEWAIJVHVPT-UHFFFAOYSA-N |
| Molecular Weight |
397.320 g/mol |
| SMILES |
N(C1=C(C=CC(=C1)Cl)Cl)C(C(NC=1C=CC=CC1)(SCC)C(C)=O)=O |
| Spectrum/Structure Validation Score (Raman) |
0.840244 |
