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p-Tert-butyl-o-{[2-(2,6-dichlorobenzyl)-4-thiazolyl]carbonyl}benamidoxime

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p-Tert-butyl-o-{[2-(2,6-dichlorobenzyl)-4-thiazolyl]carbonyl}benamidoxime
SpectraBase Compound ID 2lQAsUxrRC6
InChI InChI=1S/C22H21Cl2N3O2S/c1-22(2,3)14-9-7-13(8-10-14)20(25)27-29-21(28)18-12-30-19(26-18)11-15-16(23)5-4-6-17(15)24/h4-10,12H,11H2,1-3H3,(H2,25,27)
InChIKey PQBMVKWYSFMKSB-UHFFFAOYSA-N
Mol Weight 462.4 g/mol
Molecular Formula C22H21Cl2N3O2S
Exact Mass 461.073154 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F1JjoLnX38p
Name p-Tert-butyl-o-{[2-(2,6-dichlorobenzyl)-4-thiazolyl]carbonyl}benamidoxime
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 461.073153500 u
Formula C22H21Cl2N3O2S
InChI InChI=1S/C22H21Cl2N3O2S/c1-22(2,3)14-9-7-13(8-10-14)20(25)27-29-21(28)18-12-30-19(26-18)11-15-16(23)5-4-6-17(15)24/h4-10,12H,11H2,1-3H3,(H2,25,27)
InChIKey PQBMVKWYSFMKSB-UHFFFAOYSA-N
Molecular Weight 462.395 g/mol
SMILES N\C(C1=CC=C(C=C1)C(C)(C)C)=N/OC(C1=CSC(=N1)CC=1C(=CC=CC1Cl)Cl)=O