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1,1'-(4,4'-Biphenylylene)bis[3-(o-chlorophenyl)-2-thiourea]
SpectraBase Compound ID Fu2rKnzqu4h
InChI InChI=1S/C26H20Cl2N4S2/c27-21-5-1-3-7-23(21)31-25(33)29-19-13-9-17(10-14-19)18-11-15-20(16-12-18)30-26(34)32-24-8-4-2-6-22(24)28/h1-16H,(H2,29,31,33)(H2,30,32,34)
InChIKey YLAACBGNMJJASZ-UHFFFAOYSA-N
Mol Weight 523.5 g/mol
Molecular Formula C26H20Cl2N4S2
Exact Mass 522.050644 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jm434HuR4jZ
Name 1,1'-(4,4'-Biphenylylene)bis[3-(o-chlorophenyl)-2-thiourea]
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 522.050644408 u
Formula C26H20Cl2N4S2
InChI InChI=1S/C26H20Cl2N4S2/c27-21-5-1-3-7-23(21)31-25(33)29-19-13-9-17(10-14-19)18-11-15-20(16-12-18)30-26(34)32-24-8-4-2-6-22(24)28/h1-16H,(H2,29,31,33)(H2,30,32,34)
InChIKey YLAACBGNMJJASZ-UHFFFAOYSA-N
Molecular Weight 523.500 g/mol
SMILES N(C1=CC=C(C=2C=CC(=CC2)NC(NC=2C=CC=CC2Cl)=S)C=C1)C(NC=1C=CC=CC1Cl)=S