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Propionic acid, 3-(4-tert-butylbenzoylamino)-3-(4-ethoxyphenyl)-, ethyl ester

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Propionic acid, 3-(4-tert-butylbenzoylamino)-3-(4-ethoxyphenyl)-, ethyl ester
SpectraBase Compound ID KIYy2yBxZL
InChI InChI=1S/C24H31NO4/c1-6-28-20-14-10-17(11-15-20)21(16-22(26)29-7-2)25-23(27)18-8-12-19(13-9-18)24(3,4)5/h8-15,21H,6-7,16H2,1-5H3,(H,25,27)
InChIKey VKJAPTSWOSWCLQ-UHFFFAOYSA-N
Mol Weight 397.52 g/mol
Molecular Formula C24H31NO4
Exact Mass 397.225308 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IRl9L3o6KLE
Name Propionic acid, 3-(4-tert-butylbenzoylamino)-3-(4-ethoxyphenyl)-, ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 397.225308478 u
Formula C24H31NO4
InChI InChI=1S/C24H31NO4/c1-6-28-20-14-10-17(11-15-20)21(16-22(26)29-7-2)25-23(27)18-8-12-19(13-9-18)24(3,4)5/h8-15,21H,6-7,16H2,1-5H3,(H,25,27)
InChIKey VKJAPTSWOSWCLQ-UHFFFAOYSA-N
Molecular Weight 397.515 g/mol
SMILES C1=CC(=CC=C1C(CC(OCC)=O)NC(=O)C1=CC=C(C=C1)C(C)(C)C)OCC