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4-Chloro-N-(3-phenylamino-butyryl)-benzamide

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

4-Chloro-N-(3-phenylamino-butyryl)-benzamide
SpectraBase Compound ID LML8SzrhNBC
InChI InChI=1S/C17H17ClN2O2/c1-12(19-15-5-3-2-4-6-15)11-16(21)20-17(22)13-7-9-14(18)10-8-13/h2-10,12,19H,11H2,1H3,(H,20,21,22)
InChIKey XNTRPLNFYZDAQI-UHFFFAOYSA-N
Mol Weight 316.79 g/mol
Molecular Formula C17H17ClN2O2
Exact Mass 316.097855 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JUBDzHGPpmx
Name 4-Chloro-N-(3-phenylamino-butyryl)-benzamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 316.097855493 u
Formula C17H17ClN2O2
InChI InChI=1S/C17H17ClN2O2/c1-12(19-15-5-3-2-4-6-15)11-16(21)20-17(22)13-7-9-14(18)10-8-13/h2-10,12,19H,11H2,1H3,(H,20,21,22)
InChIKey XNTRPLNFYZDAQI-UHFFFAOYSA-N
Molecular Weight 316.788 g/mol
SMILES C(C=1C=CC(=CC1)Cl)(=O)NC(=O)CC(C)NC=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.928195