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N-(4-Methylbenzyl)amphetamine

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

N-(4-Methylbenzyl)amphetamine
SpectraBase Compound ID 3fppb18JMd1
InChI InChI=1S/C17H21N/c1-14-8-10-17(11-9-14)13-18-15(2)12-16-6-4-3-5-7-16/h3-11,15,18H,12-13H2,1-2H3
InChIKey NVACDMAZYBOQOE-UHFFFAOYSA-N
Mol Weight 239.36 g/mol
Molecular Formula C17H21N
Exact Mass 239.1674 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HBihTeBL6WL
Name N-(4-Methylbenzyl)amphetamine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 239.167399680 u
Formula C17H21N
InChI InChI=1S/C17H21N/c1-14-8-10-17(11-9-14)13-18-15(2)12-16-6-4-3-5-7-16/h3-11,15,18H,12-13H2,1-2H3
InChIKey NVACDMAZYBOQOE-UHFFFAOYSA-N
Molecular Weight 239.362 g/mol
SMILES C(NCC=1C=CC(=CC1)C)(CC1=CC=CC=C1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.901857