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ethyl 4-methyl-2-[(3-phenylpropanoyl)amino]-5-(2-toluidinocarbonyl)-3-thiophenecarboxylate

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ethyl 4-methyl-2-[(3-phenylpropanoyl)amino]-5-(2-toluidinocarbonyl)-3-thiophenecarboxylate
SpectraBase Compound ID AHaB4WHT9x7
InChI InChI=1S/C25H26N2O4S/c1-4-31-25(30)21-17(3)22(23(29)26-19-13-9-8-10-16(19)2)32-24(21)27-20(28)15-14-18-11-6-5-7-12-18/h5-13H,4,14-15H2,1-3H3,(H,26,29)(H,27,28)
InChIKey TVLWKXZIALXACK-UHFFFAOYSA-N
Mol Weight 450.55 g/mol
Molecular Formula C25H26N2O4S
Exact Mass 450.161328 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DhVXDoKl1we
Name 3-thiophenecarboxylic acid, 4-methyl-5-[[(2-methylphenyl)amino]carbonyl]-2-[(1-oxo-3-phenylpropyl)amino]-, ethyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 450.161328495 u
Formula C25H26N2O4S
InChI InChI=1S/C25H26N2O4S/c1-4-31-25(30)21-17(3)22(23(29)26-19-13-9-8-10-16(19)2)32-24(21)27-20(28)15-14-18-11-6-5-7-12-18/h5-13H,4,14-15H2,1-3H3,(H,26,29)(H,27,28)
InChIKey TVLWKXZIALXACK-UHFFFAOYSA-N
Molecular Weight 450.553 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_5355
Solvent DMSO-d6
Source Vendor ID: NMR/9244810; Lab Info: SAS; Lab Number: SAS-TST1020