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N-Methyl-N-octyl-amphetamine

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

N-Methyl-N-octyl-amphetamine
SpectraBase Compound ID 4zVh8DyyQKb
InChI InChI=1S/C18H31N/c1-4-5-6-7-8-12-15-19(3)17(2)16-18-13-10-9-11-14-18/h9-11,13-14,17H,4-8,12,15-16H2,1-3H3
InChIKey IMAVOKOTCSDFNT-UHFFFAOYSA-N
Mol Weight 261.45 g/mol
Molecular Formula C18H31N
Exact Mass 261.24565 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3kVjw95Ntqn
Name N-Methyl-N-octyl-amphetamine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 261.245650002 u
Formula C18H31N
InChI InChI=1S/C18H31N/c1-4-5-6-7-8-12-15-19(3)17(2)16-18-13-10-9-11-14-18/h9-11,13-14,17H,4-8,12,15-16H2,1-3H3
InChIKey IMAVOKOTCSDFNT-UHFFFAOYSA-N
Molecular Weight 261.453 g/mol
SMILES C=1(CC(N(CCCCCCCC)C)C)C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.940175