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3,4-Dimethoxyphenethylamine 2pent

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

3,4-Dimethoxyphenethylamine 2pent
SpectraBase Compound ID 8HNZo4bQdAp
InChI InChI=1S/C20H31NO4/c1-5-7-9-19(22)21(20(23)10-8-6-2)14-13-16-11-12-17(24-3)18(15-16)25-4/h11-12,15H,5-10,13-14H2,1-4H3
InChIKey WRPVPFPKUJPIPZ-UHFFFAOYSA-N
Mol Weight 349.47 g/mol
Molecular Formula C20H31NO4
Exact Mass 349.225308 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9VZvPxOb3Dy
Name 3,4-Dimethoxyphenethylamine 2pent
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 349.225308478 u
Formula C20H31NO4
InChI InChI=1S/C20H31NO4/c1-5-7-9-19(22)21(20(23)10-8-6-2)14-13-16-11-12-17(24-3)18(15-16)25-4/h11-12,15H,5-10,13-14H2,1-4H3
InChIKey WRPVPFPKUJPIPZ-UHFFFAOYSA-N
Molecular Weight 349.471 g/mol
SMILES C(N(C(CCCC)=O)CCC1=CC(=C(C=C1)OC)OC)(CCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.810078