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N-(2-Phenylethyl)-4-propylbenzamide

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

N-(2-Phenylethyl)-4-propylbenzamide
SpectraBase Compound ID EsMdvIy7qf2
InChI InChI=1S/C18H21NO/c1-2-6-15-9-11-17(12-10-15)18(20)19-14-13-16-7-4-3-5-8-16/h3-5,7-12H,2,6,13-14H2,1H3,(H,19,20)
InChIKey XPDHAHSWBSWODG-UHFFFAOYSA-N
Mol Weight 267.37 g/mol
Molecular Formula C18H21NO
Exact Mass 267.162314 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CuuBXZ8fDEa
Name N-(2-Phenylethyl)-4-propylbenzamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 267.162314299 u
Formula C18H21NO
InChI InChI=1S/C18H21NO/c1-2-6-15-9-11-17(12-10-15)18(20)19-14-13-16-7-4-3-5-8-16/h3-5,7-12H,2,6,13-14H2,1H3,(H,19,20)
InChIKey XPDHAHSWBSWODG-UHFFFAOYSA-N
Molecular Weight 267.372 g/mol
SMILES C=1(C(NCCC2=CC=CC=C2)=O)C=CC(=CC1)CCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.958871