SpectraBase Spectrum ID |
I7DcWbJ8LSc |
Name |
1-Phenyl-3,3-bis[2-hydroxyethyl]-2-thiourea |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
240.093248935 u |
Formula |
C11H16N2O2S |
InChI |
InChI=1S/C11H16N2O2S/c14-8-6-13(7-9-15)11(16)12-10-4-2-1-3-5-10/h1-5,14-15H,6-9H2,(H,12,16) |
InChIKey |
ZGDZNLKZTKGOCC-UHFFFAOYSA-N |
Molecular Weight |
240.321 g/mol |
SMILES |
C1=C(NC(=S)N(CCO)CCO)C=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.967484 |