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N-Ethyl-N-octyl-1-(3,4-methylenedioxyphenyl)propan-2-amine

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

N-Ethyl-N-octyl-1-(3,4-methylenedioxyphenyl)propan-2-amine
SpectraBase Compound ID 5OAdK3t7Ajq
InChI InChI=1S/C20H33NO2/c1-4-6-7-8-9-10-13-21(5-2)17(3)14-18-11-12-19-20(15-18)23-16-22-19/h11-12,15,17H,4-10,13-14,16H2,1-3H3
InChIKey CNQOSGDCZRAYHM-UHFFFAOYSA-N
Mol Weight 319.5 g/mol
Molecular Formula C20H33NO2
Exact Mass 319.251129 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1BcsB3nogBf
Name N-Ethyl-N-octyl-1-(3,4-methylenedioxyphenyl)propan-2-amine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 319.251129305 u
Formula C20H33NO2
InChI InChI=1S/C20H33NO2/c1-4-6-7-8-9-10-13-21(5-2)17(3)14-18-11-12-19-20(15-18)23-16-22-19/h11-12,15,17H,4-10,13-14,16H2,1-3H3
InChIKey CNQOSGDCZRAYHM-UHFFFAOYSA-N
Molecular Weight 319.489 g/mol
SMILES C1=2C(=CC(CC(N(CCCCCCCC)CC)C)=CC2)OCO1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.947388