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1-(3,4-Dichlorophenyl)-3-(2-pyridyl)-2-thiourea

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

1-(3,4-Dichlorophenyl)-3-(2-pyridyl)-2-thiourea
SpectraBase Compound ID EXRDvsoLm5Y
InChI InChI=1S/C12H9Cl2N3S/c13-9-5-4-8(7-10(9)14)16-12(18)17-11-3-1-2-6-15-11/h1-7H,(H2,15,16,17,18)
InChIKey YRASDJHMSLQFFN-UHFFFAOYSA-N
Mol Weight 298.19 g/mol
Molecular Formula C12H9Cl2N3S
Exact Mass 296.989424 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Iy4C230mLLv
Name 1-(3,4-Dichlorophenyl)-3-(2-pyridyl)-2-thiourea
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 296.989423876 u
Formula C12H9Cl2N3S
InChI InChI=1S/C12H9Cl2N3S/c13-9-5-4-8(7-10(9)14)16-12(18)17-11-3-1-2-6-15-11/h1-7H,(H2,15,16,17,18)
InChIKey YRASDJHMSLQFFN-UHFFFAOYSA-N
Molecular Weight 298.191 g/mol
SMILES C1=CC=C(NC(NC2=CC=C(C(=C2)Cl)Cl)=S)N=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.922239