SpectraBase Spectrum ID |
2bWJzsknkCB |
Name |
N-Cyclopropyl-N'-(3,5-dimethylphenyl)urea |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
204.126263142 u |
Formula |
C12H16N2O |
InChI |
InChI=1S/C12H16N2O/c1-8-5-9(2)7-11(6-8)14-12(15)13-10-3-4-10/h5-7,10H,3-4H2,1-2H3,(H2,13,14,15) |
InChIKey |
AGYYPSSQCDYKAP-UHFFFAOYSA-N |
Molecular Weight |
204.273 g/mol |
SMILES |
C1(NC(=O)NC2=CC(=CC(=C2)C)C)CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.913268 |