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N,N-Cyclopropylmethyl-methyl-3,4-methylenedioxyamphetamine

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

N,N-Cyclopropylmethyl-methyl-3,4-methylenedioxyamphetamine
SpectraBase Compound ID L1QFyQITdTp
InChI InChI=1S/C15H21NO2/c1-11(16(2)9-12-3-4-12)7-13-5-6-14-15(8-13)18-10-17-14/h5-6,8,11-12H,3-4,7,9-10H2,1-2H3
InChIKey JSWPMDPRBLYSEW-UHFFFAOYSA-N
Mol Weight 247.34 g/mol
Molecular Formula C15H21NO2
Exact Mass 247.157229 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JhD0SZ71dCn
Name N,N-Cyclopropylmethyl-methyl-3,4-methylenedioxyamphetamine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 247.157228918 u
Formula C15H21NO2
InChI InChI=1S/C15H21NO2/c1-11(16(2)9-12-3-4-12)7-13-5-6-14-15(8-13)18-10-17-14/h5-6,8,11-12H,3-4,7,9-10H2,1-2H3
InChIKey JSWPMDPRBLYSEW-UHFFFAOYSA-N
Molecular Weight 247.338 g/mol
SMILES C=12C(=CC(CC(N(CC3CC3)C)C)=CC1)OCO2
Spectrum/Structure Validation Score (Vapor Phase IR) 0.931124