| SpectraBase Spectrum ID |
Bqo3wPIkDDK |
| Name |
3-(2-Chloro-4-nitrophenyl)-1,1-dipropylurea |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
299.103669149 u |
| Formula |
C13H18ClN3O3 |
| InChI |
InChI=1S/C13H18ClN3O3/c1-3-7-16(8-4-2)13(18)15-12-6-5-10(17(19)20)9-11(12)14/h5-6,9H,3-4,7-8H2,1-2H3,(H,15,18) |
| InChIKey |
JPHQVNBAINTBCF-UHFFFAOYSA-N |
| SMILES |
N(=O)(=O)C=1C=C(C(=CC1)NC(N(CCC)CCC)=O)Cl |
| Spectrum/Structure Validation Score (Raman) |
0.799144 |
