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N-(3-Methylbenzyl)amphetamine

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

N-(3-Methylbenzyl)amphetamine
SpectraBase Compound ID 7sTCmGpyPIX
InChI InChI=1S/C17H21N/c1-14-7-6-10-17(11-14)13-18-15(2)12-16-8-4-3-5-9-16/h3-11,15,18H,12-13H2,1-2H3
InChIKey KETWDSPMTYLDLW-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 5Eha1kvWWgJ
Name N-(3-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/c1-14-7-6-10-17(11-14)13-18-15(2)12-16-8-4-3-5-9-16/h3-11,15,18H,12-13H2,1-2H3
InChIKey KETWDSPMTYLDLW-UHFFFAOYSA-N
Molecular Weight 239.362 g/mol
SMILES C=1(CNC(CC=2C=CC=CC2)C)C=C(C=CC1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.952271