| SpectraBase Spectrum ID |
Bwlur0RQniq |
| Name |
1-Benzyl-3-(2,4,5-trichlorophenyl)urea |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
327.993696081 u |
| Formula |
C14H11Cl3N2O |
| InChI |
InChI=1S/C14H11Cl3N2O/c15-10-6-12(17)13(7-11(10)16)19-14(20)18-8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,18,19,20) |
| InChIKey |
NQGXLZYTOBQPJB-UHFFFAOYSA-N |
| Molecular Weight |
329.614 g/mol |
| SMILES |
N(C1=CC(=C(C=C1Cl)Cl)Cl)C(NCC=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Raman) |
0.743517 |
