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N-Benzyl-N-methyl-3,4-methylenedioxyamphetamine

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

N-Benzyl-N-methyl-3,4-methylenedioxyamphetamine
SpectraBase Compound ID 9mpeZOpYja2
InChI InChI=1S/C18H21NO2/c1-14(19(2)12-15-6-4-3-5-7-15)10-16-8-9-17-18(11-16)21-13-20-17/h3-9,11,14H,10,12-13H2,1-2H3
InChIKey UGRZHLWPWLWKDF-UHFFFAOYSA-N
Mol Weight 283.37 g/mol
Molecular Formula C18H21NO2
Exact Mass 283.157229 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 51xaTIEBRvr
Name N-Benzyl-N-methyl-3,4-methylenedioxyamphetamine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 283.157228918 u
Formula C18H21NO2
InChI InChI=1S/C18H21NO2/c1-14(19(2)12-15-6-4-3-5-7-15)10-16-8-9-17-18(11-16)21-13-20-17/h3-9,11,14H,10,12-13H2,1-2H3
InChIKey UGRZHLWPWLWKDF-UHFFFAOYSA-N
SMILES C1=2C(=CC=C(C2)CC(N(CC=2C=CC=CC2)C)C)OCO1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.945437