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[1,1' : 4',1"]-Terphenyl-4,3"-dicarbothioamide

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

[1,1' : 4',1"]-Terphenyl-4,3"-dicarbothioamide
SpectraBase Compound ID 3gwY7xs8fEd
InChI InChI=1S/C20H16N2S2/c21-19(23)16-10-8-14(9-11-16)13-4-6-15(7-5-13)17-2-1-3-18(12-17)20(22)24/h1-12H,(H2,21,23)(H2,22,24)
InChIKey HEXAGHHFRCRSQB-UHFFFAOYSA-N
Mol Weight 348.48 g/mol
Molecular Formula C20H16N2S2
Exact Mass 348.075491 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 608zJ8ccnWy
Name [1,1' : 4',1'']-terphenyl-4,3''-dicarbothioamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 348.075490871 u
Formula C20H16N2S2
InChI InChI=1S/C20H16N2S2/c21-19(23)16-10-8-14(9-11-16)13-4-6-15(7-5-13)17-2-1-3-18(12-17)20(22)24/h1-12H,(H2,21,23)(H2,22,24)
InChIKey HEXAGHHFRCRSQB-UHFFFAOYSA-N
Molecular Weight 348.482 g/mol
SMILES C(C1=CC(C2=CC=C(C3=CC=C(C(=S)N)C=C3)C=C2)=CC=C1)(=S)N