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1-(2,4-Difluorophenyl)-3-phenylthiourea

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

1-(2,4-Difluorophenyl)-3-phenylthiourea
SpectraBase Compound ID ELJlBrGtk53
InChI InChI=1S/C13H10F2N2S/c14-9-6-7-12(11(15)8-9)17-13(18)16-10-4-2-1-3-5-10/h1-8H,(H2,16,17,18)
InChIKey IECYSSMVQNMTHW-UHFFFAOYSA-N
Mol Weight 264.29 g/mol
Molecular Formula C13H10F2N2S
Exact Mass 264.053276 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GtwI733lXCl
Name 1-(2,4-Difluorophenyl)-3-phenylthiourea
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 264.053275830 u
Formula C13H10F2N2S
InChI InChI=1S/C13H10F2N2S/c14-9-6-7-12(11(15)8-9)17-13(18)16-10-4-2-1-3-5-10/h1-8H,(H2,16,17,18)
InChIKey IECYSSMVQNMTHW-UHFFFAOYSA-N
Molecular Weight 264.294 g/mol
SMILES C(NC1=C(C=C(C=C1)F)F)(NC1=CC=CC=C1)=S
Spectrum/Structure Validation Score (Vapor Phase IR) 0.877016