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N-Tert-butyl-N-methyl-3,4-methylenedioxyamphetamine

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

N-Tert-butyl-N-methyl-3,4-methylenedioxyamphetamine
SpectraBase Compound ID 5d8UtRaw1Qc
InChI InChI=1S/C15H23NO2/c1-11(16(5)15(2,3)4)8-12-6-7-13-14(9-12)18-10-17-13/h6-7,9,11H,8,10H2,1-5H3
InChIKey MVRRKLZSPWAKBY-UHFFFAOYSA-N
Mol Weight 249.35 g/mol
Molecular Formula C15H23NO2
Exact Mass 249.172879 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3JoBlFailGU
Name N-Tert-butyl-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 249.172878983 u
Formula C15H23NO2
InChI InChI=1S/C15H23NO2/c1-11(16(5)15(2,3)4)8-12-6-7-13-14(9-12)18-10-17-13/h6-7,9,11H,8,10H2,1-5H3
InChIKey MVRRKLZSPWAKBY-UHFFFAOYSA-N
Molecular Weight 249.354 g/mol
SMILES C(N(C(CC=1C=C2C(=CC1)OCO2)C)C)(C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.965543