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m-(p-Tert-butylbenzamido)benzoic acid, methyl ester

View entire compound with spectra: 3 NMR, 1 FTIR, and 1 Raman

m-(p-Tert-butylbenzamido)benzoic acid, methyl ester
SpectraBase Compound ID BYqN4LYSyZb
InChI InChI=1S/C19H21NO3/c1-19(2,3)15-10-8-13(9-11-15)17(21)20-16-7-5-6-14(12-16)18(22)23-4/h5-12H,1-4H3,(H,20,21)
InChIKey NJQBXJRIJXWMSL-UHFFFAOYSA-N
Mol Weight 311.38 g/mol
Molecular Formula C19H21NO3
Exact Mass 311.152144 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID IMVbwrkK7bm
Name m-(p-Tert-butylbenzamido)benzoic acid, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 311.152143537 u
Formula C19H21NO3
InChI InChI=1S/C19H21NO3/c1-19(2,3)15-10-8-13(9-11-15)17(21)20-16-7-5-6-14(12-16)18(22)23-4/h5-12H,1-4H3,(H,20,21)
InChIKey NJQBXJRIJXWMSL-UHFFFAOYSA-N
Molecular Weight 311.381 g/mol
SMILES N(C(C1=CC=C(C=C1)C(C)(C)C)=O)C=1C=C(C=CC1)C(OC)=O
Spectrum/Structure Validation Score (Raman) 0.864423