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1-(2,4-Difluorophenyl)-2-thiourea, N-acetyl-
SpectraBase Compound ID 2qirWhgF3qj
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
Mol Weight 230.23 g/mol
Molecular Formula C9H8F2N2OS
Exact Mass 230.03254 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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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