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Propyl 4-(4-tert-butylphenyl)-2-({[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-5-methyl-3-thiophenecarboxylate

View entire compound with spectra: 2 NMR

Propyl 4-(4-tert-butylphenyl)-2-({[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-5-methyl-3-thiophenecarboxylate
SpectraBase Compound ID KUmokgw4YLX
InChI InChI=1S/C30H30Cl2N2O4S/c1-7-15-37-29(36)25-23(18-11-13-19(14-12-18)30(4,5)6)17(3)39-28(25)33-27(35)22-16(2)38-34-26(22)24-20(31)9-8-10-21(24)32/h8-14H,7,15H2,1-6H3,(H,33,35)
InChIKey YCFQVNSGXQKDNY-UHFFFAOYSA-N
Mol Weight 585.55 g/mol
Molecular Formula C30H30Cl2N2O4S
Exact Mass 584.130334 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID TvbpoWM1oV
Name Propyl 4-(4-tert-butylphenyl)-2-({[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-5-methyl-3-thiophenecarboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 584.130334024 u
Formula C30H30Cl2N2O4S
InChI InChI=1S/C30H30Cl2N2O4S/c1-7-15-37-29(36)25-23(18-11-13-19(14-12-18)30(4,5)6)17(3)39-28(25)33-27(35)22-16(2)38-34-26(22)24-20(31)9-8-10-21(24)32/h8-14H,7,15H2,1-6H3,(H,33,35)
InChIKey YCFQVNSGXQKDNY-UHFFFAOYSA-N
Molecular Weight 585.546 g/mol
SMILES N(C1=C(C(=C(C)S1)C=1C=CC(C(C)(C)C)=CC1)C(=O)OCCC)C(C=1C(=NOC1C)C1=C(Cl)C=CC=C1Cl)=O