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N,N-Hexyl-methyl-3,4-methylenedioxyamphetamine

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

N,N-Hexyl-methyl-3,4-methylenedioxyamphetamine
SpectraBase Compound ID 3T672VViLo7
InChI InChI=1S/C17H27NO2/c1-4-5-6-7-10-18(3)14(2)11-15-8-9-16-17(12-15)20-13-19-16/h8-9,12,14H,4-7,10-11,13H2,1-3H3
InChIKey AQACMMDNSULSMA-UHFFFAOYSA-N
Mol Weight 277.41 g/mol
Molecular Formula C17H27NO2
Exact Mass 277.204179 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JsJpvx7EAAq
Name N,N-Hexyl-methyl-3,4-methylenedioxyamphetamine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 277.204179111 u
Formula C17H27NO2
InChI InChI=1S/C17H27NO2/c1-4-5-6-7-10-18(3)14(2)11-15-8-9-16-17(12-15)20-13-19-16/h8-9,12,14H,4-7,10-11,13H2,1-3H3
InChIKey AQACMMDNSULSMA-UHFFFAOYSA-N
Molecular Weight 277.408 g/mol
SMILES C1=2C(=CC(CC(N(CCCCCC)C)C)=CC2)OCO1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.880155