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Methyl 4-[4'-(N-t-butylaminocarbonyl)benzoyl]-benzoate

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

Methyl 4-[4'-(N-t-butylaminocarbonyl)benzoyl]-benzoate
SpectraBase Compound ID C7TE7gKl9Ju
InChI InChI=1S/C20H21NO4/c1-20(2,3)21-18(23)15-9-5-13(6-10-15)17(22)14-7-11-16(12-8-14)19(24)25-4/h5-12H,1-4H3,(H,21,23)
InChIKey ARBSFPMHQZGIJL-UHFFFAOYSA-N
Mol Weight 339.39 g/mol
Molecular Formula C20H21NO4
Exact Mass 339.147058 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4AvF2utAohC
Name Methyl 4-[4'-(N-T-butylaminocarbonyl)benzoyl]-benzoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 339.147058156 u
Formula C20H21NO4
InChI InChI=1S/C20H21NO4/c1-20(2,3)21-18(23)15-9-5-13(6-10-15)17(22)14-7-11-16(12-8-14)19(24)25-4/h5-12H,1-4H3,(H,21,23)
InChIKey ARBSFPMHQZGIJL-UHFFFAOYSA-N
Molecular Weight 339.391 g/mol
SMILES C(NC(C)(C)C)(C1=CC=C(C(C2=CC=C(C(=O)OC)C=C2)=O)C=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.890599