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thiourea, N-(5-chloro-2-methoxybenzoyl)-N'-(3-oxazolo[4,5-b]pyridin-2-ylphenyl)-
SpectraBase Compound ID CRIfnItwArg
InChI InChI=1S/C21H15ClN4O3S/c1-28-16-8-7-13(22)11-15(16)19(27)26-21(30)24-14-5-2-4-12(10-14)20-25-18-17(29-20)6-3-9-23-18/h2-11H,1H3,(H2,24,26,27,30)
InChIKey ODXVKKQVMLEEIM-UHFFFAOYSA-N
Mol Weight 438.89 g/mol
Molecular Formula C21H15ClN4O3S
Exact Mass 438.055339 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AGtik0htX4o
Name Thiourea, N-(5-chloro-2-methoxybenzoyl)-N'-(3-oxazolo[4,5-B]pyridin-2-ylphenyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 438.055339230 u
Formula C21H15ClN4O3S
InChI InChI=1S/C21H15ClN4O3S/c1-28-16-8-7-13(22)11-15(16)19(27)26-21(30)24-14-5-2-4-12(10-14)20-25-18-17(29-20)6-3-9-23-18/h2-11H,1H3,(H2,24,26,27,30)
InChIKey ODXVKKQVMLEEIM-UHFFFAOYSA-N
Molecular Weight 438.889 g/mol
SMILES N(C(NC(C=1C(=CC=C(C1)Cl)OC)=O)=S)C=1C=C(C2=NC3=C(C=CC=N3)O2)C=CC1