SpectraBase Spectrum ID |
LeQxJn4Uwwj |
Name |
1-(2-Hydroxyethyl)-3-phenyl-1-(phenylmethyl)thiourea |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
286.113984381 u |
Formula |
C16H18N2OS |
InChI |
InChI=1S/C16H18N2OS/c19-12-11-18(13-14-7-3-1-4-8-14)16(20)17-15-9-5-2-6-10-15/h1-10,19H,11-13H2,(H,17,20) |
InChIKey |
YGGZGLZNOLJGGF-UHFFFAOYSA-N |
Molecular Weight |
286.393 g/mol |
SMILES |
C(N(CC=1C=CC=CC1)CCO)(NC=1C=CC=CC1)=S |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.937136 |