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Methyl 4-(4-cyclohexylphenyl)-2-[(4-propylbenzoyl)amino]-3-thiophenecarboxylate

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Methyl 4-(4-cyclohexylphenyl)-2-[(4-propylbenzoyl)amino]-3-thiophenecarboxylate
SpectraBase Compound ID 1DU64xXivk5
InChI InChI=1S/C28H31NO3S/c1-3-7-19-10-12-23(13-11-19)26(30)29-27-25(28(31)32-2)24(18-33-27)22-16-14-21(15-17-22)20-8-5-4-6-9-20/h10-18,20H,3-9H2,1-2H3,(H,29,30)
InChIKey AJVVFLNNHXYVLY-UHFFFAOYSA-N
Mol Weight 461.62 g/mol
Molecular Formula C28H31NO3S
Exact Mass 461.202465 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DrgOv7Ofhz7
Name Methyl 4-(4-cyclohexylphenyl)-2-[(4-propylbenzoyl)amino]-3-thiophenecarboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 461.202465033 u
Formula C28H31NO3S
InChI InChI=1S/C28H31NO3S/c1-3-7-19-10-12-23(13-11-19)26(30)29-27-25(28(31)32-2)24(18-33-27)22-16-14-21(15-17-22)20-8-5-4-6-9-20/h10-18,20H,3-9H2,1-2H3,(H,29,30)
InChIKey AJVVFLNNHXYVLY-UHFFFAOYSA-N
Molecular Weight 461.620 g/mol
SMILES N(C1=C(C(C2=CC=C(C=C2)C2CCCCC2)=CS1)C(=O)OC)C(C1=CC=C(C=C1)CCC)=O