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3-[(4-Tert-butylbenzoyl)amino]-3-(4-isopropoxyphenyl)propanoic acid
SpectraBase Compound ID CNatN3p5MPa
InChI InChI=1S/C23H29NO4/c1-15(2)28-19-12-8-16(9-13-19)20(14-21(25)26)24-22(27)17-6-10-18(11-7-17)23(3,4)5/h6-13,15,20H,14H2,1-5H3,(H,24,27)(H,25,26)
InChIKey BGCZNYOUKVKODC-UHFFFAOYSA-N
Mol Weight 383.49 g/mol
Molecular Formula C23H29NO4
Exact Mass 383.209658 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1tcuGyvki4X
Name 3-[(4-Tert-butylbenzoyl)amino]-3-(4-isopropoxyphenyl)propanoic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 383.209658414 u
Formula C23H29NO4
InChI InChI=1S/C23H29NO4/c1-15(2)28-19-12-8-16(9-13-19)20(14-21(25)26)24-22(27)17-6-10-18(11-7-17)23(3,4)5/h6-13,15,20H,14H2,1-5H3,(H,24,27)(H,25,26)
InChIKey BGCZNYOUKVKODC-UHFFFAOYSA-N
Molecular Weight 383.488 g/mol
SMILES C=1C=C(C=CC1C(CC(O)=O)NC(=O)C1=CC=C(C=C1)C(C)(C)C)OC(C)C