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N,N-Phenethyl-methyl-3,4-methylenedioxyamphetamine

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

N,N-Phenethyl-methyl-3,4-methylenedioxyamphetamine
SpectraBase Compound ID BVjn6doCzdq
InChI InChI=1S/C19H23NO2/c1-15(20(2)11-10-16-6-4-3-5-7-16)12-17-8-9-18-19(13-17)22-14-21-18/h3-9,13,15H,10-12,14H2,1-2H3
InChIKey HQEUZUUFVRKLIU-UHFFFAOYSA-N
Mol Weight 297.4 g/mol
Molecular Formula C19H23NO2
Exact Mass 297.172879 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EZfTt6uNfSr
Name N,N-Phenethyl-methyl-3,4-methylenedioxyamphetamine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 297.172878983 u
Formula C19H23NO2
InChI InChI=1S/C19H23NO2/c1-15(20(2)11-10-16-6-4-3-5-7-16)12-17-8-9-18-19(13-17)22-14-21-18/h3-9,13,15H,10-12,14H2,1-2H3
InChIKey HQEUZUUFVRKLIU-UHFFFAOYSA-N
SMILES C=12C(=CC(CC(N(CCC=3C=CC=CC3)C)C)=CC1)OCO2
Spectrum/Structure Validation Score (Vapor Phase IR) 0.968062