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N-(2'-Phenylethyl)-hexanamide

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

N-(2'-Phenylethyl)-hexanamide
SpectraBase Compound ID BPWOmuHZsAG
InChI InChI=1S/C14H21NO/c1-2-3-5-10-14(16)15-12-11-13-8-6-4-7-9-13/h4,6-9H,2-3,5,10-12H2,1H3,(H,15,16)
InChIKey LNMZIFQVUGGAAS-UHFFFAOYSA-N
Mol Weight 219.33 g/mol
Molecular Formula C14H21NO
Exact Mass 219.162314 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 28Dz42AY7zr
Name N-(2'-Phenylethyl)-hexanamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 219.162314299 u
Formula C14H21NO
InChI InChI=1S/C14H21NO/c1-2-3-5-10-14(16)15-12-11-13-8-6-4-7-9-13/h4,6-9H,2-3,5,10-12H2,1H3,(H,15,16)
InChIKey LNMZIFQVUGGAAS-UHFFFAOYSA-N
Molecular Weight 219.328 g/mol
SMILES C(=O)(CCCCC)NCCC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.982833