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N-Butyl-3-methoxy-4,5-methylenedioxyphenethylamine

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

N-Butyl-3-methoxy-4,5-methylenedioxyphenethylamine
SpectraBase Compound ID 2Xr34yROQMg
InChI InChI=1S/C14H21NO3/c1-3-4-6-15-7-5-11-8-12(16-2)14-13(9-11)17-10-18-14/h8-9,15H,3-7,10H2,1-2H3
InChIKey HXMHBCBMOCYVFV-UHFFFAOYSA-N
Mol Weight 251.33 g/mol
Molecular Formula C14H21NO3
Exact Mass 251.152144 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Gk3prjl4cP1
Name N-Butyl-3-methoxy-4,5-methylenedioxyphenethylamine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 251.152143537 u
Formula C14H21NO3
InChI InChI=1S/C14H21NO3/c1-3-4-6-15-7-5-11-8-12(16-2)14-13(9-11)17-10-18-14/h8-9,15H,3-7,10H2,1-2H3
InChIKey HXMHBCBMOCYVFV-UHFFFAOYSA-N
Molecular Weight 251.326 g/mol
SMILES C1=2C(=CC(=CC2OC)CCNCCCC)OCO1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.912073