| SpectraBase Spectrum ID |
2OyWlQ39cuP |
| Name |
Urea, 3-(3-chloro-o-tolyl)-1,1-dimethyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
212.071640746 u |
| Formula |
C10H13ClN2O |
| InChI |
InChI=1S/C10H13ClN2O/c1-7-8(11)5-4-6-9(7)12-10(14)13(2)3/h4-6H,1-3H3,(H,12,14) |
| InChIKey |
YSMGKTOVYFPIPS-UHFFFAOYSA-N |
| Molecular Weight |
212.680 g/mol |
| SMILES |
C(NC1=C(C)C(Cl)=CC=C1)(N(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.964532 |