| SpectraBase Spectrum ID |
1qdsUCemtL0 |
| Name |
3-(2,4-Dichlorophenyl)-1,1-dipropylurea |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
288.079618607 u |
| Formula |
C13H18Cl2N2O |
| InChI |
InChI=1S/C13H18Cl2N2O/c1-3-7-17(8-4-2)13(18)16-12-6-5-10(14)9-11(12)15/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,18) |
| InChIKey |
YLIDAIFEEPNIMC-UHFFFAOYSA-N |
| Molecular Weight |
289.206 g/mol |
| SMILES |
N(C1=CC=C(C=C1Cl)Cl)C(N(CCC)CCC)=O |
| Spectrum/Structure Validation Score (Raman) |
0.809286 |
