SpectraBase Spectrum ID |
4xel17uXOv2 |
Name |
1-(2,4-Difluorophenyl)-2-thiourea, N-acetyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
230.032540385 u |
Formula |
C9H8F2N2OS |
InChI |
InChI=1S/C9H8F2N2OS/c1-5(14)12-9(15)13-8-3-2-6(10)4-7(8)11/h2-4H,1H3,(H2,12,13,14,15) |
InChIKey |
PAAJONQOITZNMF-UHFFFAOYSA-N |
Molecular Weight |
230.233 g/mol |
SMILES |
C(NC1=C(C=C(C=C1)F)F)(=S)NC(C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961755 |