SpectraBase Spectrum ID |
BFI4DNoBjM3 |
Name |
N-(2-Methoxyethyl)-N'-phenylthiourea |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
210.082684252 u |
Formula |
C10H14N2OS |
InChI |
InChI=1S/C10H14N2OS/c1-13-8-7-11-10(14)12-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H2,11,12,14) |
InChIKey |
KAPKCVKSPRLFTF-UHFFFAOYSA-N |
Molecular Weight |
210.295 g/mol |
SMILES |
C(=S)(NCCOC)NC1=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.812735 |