| SpectraBase Spectrum ID |
GuXo0SAKzh3 |
| Name |
3-(3,4-Dichlorophenyl)-1-isopropyl-1-(5-methyl-2-thiazolin-2-yl)urea |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
345.046938752 u |
| Formula |
C14H17Cl2N3OS |
| InChI |
InChI=1S/C14H17Cl2N3OS/c1-8(2)19(14-17-7-9(3)21-14)13(20)18-10-4-5-11(15)12(16)6-10/h4-6,8-9H,7H2,1-3H3,(H,18,20) |
| InChIKey |
OCJGVXPTHHSHEA-UHFFFAOYSA-N |
| Molecular Weight |
346.276 g/mol |
| SMILES |
CC(N(C(NC1=CC(=C(C=C1)Cl)Cl)=O)C=1SC(C)CN1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.930517 |
