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N-Propyl-3,4-methylenedioxyphenethylamine

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

N-Propyl-3,4-methylenedioxyphenethylamine
SpectraBase Compound ID G15bjSmyUdF
InChI InChI=1S/C12H17NO2/c1-2-6-13-7-5-10-3-4-11-12(8-10)15-9-14-11/h3-4,8,13H,2,5-7,9H2,1H3
InChIKey ZMPURCOTDDRKJT-UHFFFAOYSA-N
Mol Weight 207.27 g/mol
Molecular Formula C12H17NO2
Exact Mass 207.125929 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GUtBDVd9uoq
Name N-Propyl-3,4-methylenedioxyphenethylamine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 207.125928789 u
Formula C12H17NO2
InChI InChI=1S/C12H17NO2/c1-2-6-13-7-5-10-3-4-11-12(8-10)15-9-14-11/h3-4,8,13H,2,5-7,9H2,1H3
InChIKey ZMPURCOTDDRKJT-UHFFFAOYSA-N
Molecular Weight 207.273 g/mol
SMILES C1=2C(=CC=C(C2)CCNCCC)OCO1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.987652