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N-(3-Methylbenzyl)-2-phenylethan-1-amine

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

N-(3-Methylbenzyl)-2-phenylethan-1-amine
SpectraBase Compound ID BsigSsRhCT8
InChI InChI=1S/C16H19N/c1-14-6-5-9-16(12-14)13-17-11-10-15-7-3-2-4-8-15/h2-9,12,17H,10-11,13H2,1H3
InChIKey PJDVOKWGNAAUEN-UHFFFAOYSA-N
Mol Weight 225.33 g/mol
Molecular Formula C16H19N
Exact Mass 225.15175 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KGpl8bXj5tb
Name N-(3-Methylbenzyl)-2-phenylethan-1-amine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 225.151749616 u
Formula C16H19N
InChI InChI=1S/C16H19N/c1-14-6-5-9-16(12-14)13-17-11-10-15-7-3-2-4-8-15/h2-9,12,17H,10-11,13H2,1H3
InChIKey PJDVOKWGNAAUEN-UHFFFAOYSA-N
Molecular Weight 225.335 g/mol
SMILES C=1(CNCCC=2C=CC=CC2)C=C(C=CC1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.978975