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N-{5-[2'-(2"-Chlorophenoxy)phenyl]-1,3,4-oxadiazol-2-yl}-N'-(3"'-chlorophenyl)urea
SpectraBase Compound ID 4hxgN7hMmgP
InChI InChI=1S/C21H14Cl2N4O3/c22-13-6-5-7-14(12-13)24-20(28)25-21-27-26-19(30-21)15-8-1-3-10-17(15)29-18-11-4-2-9-16(18)23/h1-12H,(H2,24,25,27,28)
InChIKey HTVQTGSXGQPUKP-UHFFFAOYSA-N
Mol Weight 441.27 g/mol
Molecular Formula C21H14Cl2N4O3
Exact Mass 440.044296 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5hPSLKXtkiI
Name N-{5-[2'-(2''-Chlorophenoxy)phenyl]-1,3,4-oxadiazol-2-yl}-N'-(3'''-chlorophenyl)urea
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 440.044295724 u
Formula C21H14Cl2N4O3
InChI InChI=1S/C21H14Cl2N4O3/c22-13-6-5-7-14(12-13)24-20(28)25-21-27-26-19(30-21)15-8-1-3-10-17(15)29-18-11-4-2-9-16(18)23/h1-12H,(H2,24,25,27,28)
InChIKey HTVQTGSXGQPUKP-UHFFFAOYSA-N
Molecular Weight 441.274 g/mol
SMILES C=1(OC(NC(NC=2C=C(Cl)C=CC2)=O)=NN1)C=1C(OC=2C(Cl)=CC=CC2)=CC=CC1