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N-Benzyl-N-[1-(1,3-cyclohexadienyl)propan-2-yl]amine

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

N-Benzyl-N-[1-(1,3-cyclohexadienyl)propan-2-yl]amine
SpectraBase Compound ID 4qg2FS7ENMa
InChI InChI=1S/C16H21N/c1-14(12-15-8-4-2-5-9-15)17-13-16-10-6-3-7-11-16/h2-4,6-8,10-11,14,17H,5,9,12-13H2,1H3
InChIKey KQYUYYKSMPOZAE-UHFFFAOYSA-N
Mol Weight 227.35 g/mol
Molecular Formula C16H21N
Exact Mass 227.1674 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CBIsRIX34e
Name N-Benzyl-N-[1-(1,3-cyclohexadienyl)propan-2-yl]amine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 227.167399680 u
Formula C16H21N
InChI InChI=1S/C16H21N/c1-14(12-15-8-4-2-5-9-15)17-13-16-10-6-3-7-11-16/h2-4,6-8,10-11,14,17H,5,9,12-13H2,1H3
InChIKey KQYUYYKSMPOZAE-UHFFFAOYSA-N
Molecular Weight 227.351 g/mol
SMILES C1(=CC=CCC1)CC(NCC=1C=CC=CC1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.943532