SpectraBase Spectrum ID |
D4aKD8lfA46 |
Name |
1-(Diphenylmethyl)-3-phenethyl-2-thiourea |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
346.150369890 u |
Formula |
C22H22N2S |
InChI |
InChI=1S/C22H22N2S/c25-22(23-17-16-18-10-4-1-5-11-18)24-21(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21H,16-17H2,(H2,23,24,25) |
InChIKey |
GUUOYRKTCSPGKE-UHFFFAOYSA-N |
Molecular Weight |
346.492 g/mol |
SMILES |
N(CCC1=CC=CC=C1)C(NC(C=1C=CC=CC1)C=1C=CC=CC1)=S |
Spectrum/Structure Validation Score (Raman) |
0.98981 |