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N,N-Dipentyl-2,4,5-trimethoxyamphetamine

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

N,N-Dipentyl-2,4,5-trimethoxyamphetamine
SpectraBase Compound ID 2hSledGPLQt
InChI InChI=1S/C22H39NO3/c1-7-9-11-13-23(14-12-10-8-2)18(3)15-19-16-21(25-5)22(26-6)17-20(19)24-4/h16-18H,7-15H2,1-6H3
InChIKey FCAVFHPAYHMJBG-UHFFFAOYSA-N
Mol Weight 365.6 g/mol
Molecular Formula C22H39NO3
Exact Mass 365.292994 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JJERHCqcqZ6
Name N,N-Dipentyl-2,4,5-trimethoxyamphetamine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 365.292994117 u
Formula C22H39NO3
InChI InChI=1S/C22H39NO3/c1-7-9-11-13-23(14-12-10-8-2)18(3)15-19-16-21(25-5)22(26-6)17-20(19)24-4/h16-18H,7-15H2,1-6H3
InChIKey FCAVFHPAYHMJBG-UHFFFAOYSA-N
Molecular Weight 365.558 g/mol
SMILES C1(=C(C=C(C(=C1)OC)OC)OC)CC(N(CCCCC)CCCCC)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.802929