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Propanoic acid, 2-benzamido-3-phenyl-, propyl ester

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 MS (GC)

Propanoic acid, 2-benzamido-3-phenyl-, propyl ester
SpectraBase Compound ID FBKSPDc4TaJ
InChI InChI=1S/C19H21NO3/c1-2-13-23-19(22)17(14-15-9-5-3-6-10-15)20-18(21)16-11-7-4-8-12-16/h3-12,17H,2,13-14H2,1H3,(H,20,21)
InChIKey TZBAHXCUUZTREM-UHFFFAOYSA-N
Mol Weight 311.38 g/mol
Molecular Formula C19H21NO3
Exact Mass 311.152144 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GAhjLH0bTpK
Name Propanoic acid, 2-benzamido-3-phenyl-, propyl 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/c1-2-13-23-19(22)17(14-15-9-5-3-6-10-15)20-18(21)16-11-7-4-8-12-16/h3-12,17H,2,13-14H2,1H3,(H,20,21)
InChIKey TZBAHXCUUZTREM-UHFFFAOYSA-N
Molecular Weight 311.381 g/mol
SMILES C(NC(C(=O)OCCC)CC=1C=CC=CC1)(=O)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.940343