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thiourea, N-(2,4-dichlorobenzoyl)-N'-[4-(4-pyridinylmethyl)phenyl]-
SpectraBase Compound ID H3wGGkmaRIC
InChI InChI=1S/C20H15Cl2N3OS/c21-15-3-6-17(18(22)12-15)19(26)25-20(27)24-16-4-1-13(2-5-16)11-14-7-9-23-10-8-14/h1-10,12H,11H2,(H2,24,25,26,27)
InChIKey UWIYKNXHVWFFRA-UHFFFAOYSA-N
Mol Weight 416.33 g/mol
Molecular Formula C20H15Cl2N3OS
Exact Mass 415.031289 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fy6AVXHY5mz
Name Thiourea, N-(2,4-dichlorobenzoyl)-N'-[4-(4-pyridinylmethyl)phenyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 415.031288688 u
Formula C20H15Cl2N3OS
InChI InChI=1S/C20H15Cl2N3OS/c21-15-3-6-17(18(22)12-15)19(26)25-20(27)24-16-4-1-13(2-5-16)11-14-7-9-23-10-8-14/h1-10,12H,11H2,(H2,24,25,26,27)
InChIKey UWIYKNXHVWFFRA-UHFFFAOYSA-N
Molecular Weight 416.326 g/mol
SMILES N(C(C=1C(=CC(=CC1)Cl)Cl)=O)C(NC=1C=CC(=CC1)CC=1C=CN=CC1)=S