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N-Acetyl-N-benzylpentanamide

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

N-Acetyl-N-benzylpentanamide
SpectraBase Compound ID 7nBUs1VQJhn
InChI InChI=1S/C14H19NO2/c1-3-4-10-14(17)15(12(2)16)11-13-8-6-5-7-9-13/h5-9H,3-4,10-11H2,1-2H3
InChIKey MFLCULKURNUTBI-UHFFFAOYSA-N
Mol Weight 233.31 g/mol
Molecular Formula C14H19NO2
Exact Mass 233.141579 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3ctf922iaXz
Name N-Acetyl-N-benzylpentanamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 233.141578854 u
Formula C14H19NO2
InChI InChI=1S/C14H19NO2/c1-3-4-10-14(17)15(12(2)16)11-13-8-6-5-7-9-13/h5-9H,3-4,10-11H2,1-2H3
InChIKey MFLCULKURNUTBI-UHFFFAOYSA-N
Molecular Weight 233.311 g/mol
SMILES CCCCC(N(C(C)=O)CC1=CC=CC=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.974825