SpectraBase Spectrum ID |
A8lLHGJOpvG |
Name |
Urea, 1-benzyl-1-(1-cyclopropyl)ethyl-3-(4-tolyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
308.188863400 u |
Formula |
C20H24N2O |
InChI |
InChI=1S/C20H24N2O/c1-15-8-12-19(13-9-15)21-20(23)22(16(2)18-10-11-18)14-17-6-4-3-5-7-17/h3-9,12-13,16,18H,10-11,14H2,1-2H3,(H,21,23) |
InChIKey |
DRASCTAWFQOISO-UHFFFAOYSA-N |
SMILES |
C(N(C(C1CC1)C)CC1=CC=CC=C1)(NC1=CC=C(C=C1)C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.931233 |