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N-(4-aminobutyl)-2-phenyl-acetamide

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

N-(4-aminobutyl)-2-phenyl-acetamide
SpectraBase Compound ID Eww6oucn4dI
InChI InChI=1S/C12H18N2O/c13-8-4-5-9-14-12(15)10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10,13H2,(H,14,15)
InChIKey ROEMBLFHQWXCKA-UHFFFAOYSA-N
Mol Weight 206.29 g/mol
Molecular Formula C12H18N2O
Exact Mass 206.141913 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID jzun8TbrSq
Name N-(4-Aminobutyl)-2-phenyl-acetamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 206.141913207 u
Formula C12H18N2O
InChI InChI=1S/C12H18N2O/c13-8-4-5-9-14-12(15)10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10,13H2,(H,14,15)
InChIKey ROEMBLFHQWXCKA-UHFFFAOYSA-N
Molecular Weight 206.289 g/mol
SMILES C(=O)(NCCCCN)CC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.880391