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N-Propyl-3,4,5-trimethoxyphenethylamine

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

N-Propyl-3,4,5-trimethoxyphenethylamine
SpectraBase Compound ID Ch7UDdMVOrD
InChI InChI=1S/C14H23NO3/c1-5-7-15-8-6-11-9-12(16-2)14(18-4)13(10-11)17-3/h9-10,15H,5-8H2,1-4H3
InChIKey KNGUSWJQDIVIQN-UHFFFAOYSA-N
Mol Weight 253.34 g/mol
Molecular Formula C14H23NO3
Exact Mass 253.167794 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID G3THbPpPgBz
Name N-Propyl-3,4,5-trimethoxyphenethylamine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 253.167793602 u
Formula C14H23NO3
InChI InChI=1S/C14H23NO3/c1-5-7-15-8-6-11-9-12(16-2)14(18-4)13(10-11)17-3/h9-10,15H,5-8H2,1-4H3
InChIKey KNGUSWJQDIVIQN-UHFFFAOYSA-N
Molecular Weight 253.342 g/mol
SMILES C1(=C(C=C(C=C1OC)CCNCCC)OC)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.928984