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3-Methoxy-4,5-methylenedioxyphenethylamine 2hex

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

3-Methoxy-4,5-methylenedioxyphenethylamine 2hex
SpectraBase Compound ID 21KXosvB3J0
InChI InChI=1S/C22H33NO5/c1-4-6-8-10-20(24)23(21(25)11-9-7-5-2)13-12-17-14-18(26-3)22-19(15-17)27-16-28-22/h14-15H,4-13,16H2,1-3H3
InChIKey WYXLEPCAOOYOOL-UHFFFAOYSA-N
Mol Weight 391.5 g/mol
Molecular Formula C22H33NO5
Exact Mass 391.235873 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID RVatSSJhkt
Name 3-Methoxy-4,5-methylenedioxyphenethylamine 2hex
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 391.235873162 u
Formula C22H33NO5
InChI InChI=1S/C22H33NO5/c1-4-6-8-10-20(24)23(21(25)11-9-7-5-2)13-12-17-14-18(26-3)22-19(15-17)27-16-28-22/h14-15H,4-13,16H2,1-3H3
InChIKey WYXLEPCAOOYOOL-UHFFFAOYSA-N
Molecular Weight 391.508 g/mol
SMILES C1=2C(=CC(=CC2OC)CCN(C(CCCCC)=O)C(CCCCC)=O)OCO1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.942182