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3-Methoxy-4,5-methylenedioxyphenethylamine 2ac

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

3-Methoxy-4,5-methylenedioxyphenethylamine 2ac
SpectraBase Compound ID 5N5ysCZYeHu
InChI InChI=1S/C14H17NO5/c1-9(16)15(10(2)17)5-4-11-6-12(18-3)14-13(7-11)19-8-20-14/h6-7H,4-5,8H2,1-3H3
InChIKey HDTHKENLARMWSL-UHFFFAOYSA-N
Mol Weight 279.29 g/mol
Molecular Formula C14H17NO5
Exact Mass 279.110673 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7HKb3vFL3as
Name 3-Methoxy-4,5-methylenedioxyphenethylamine 2ac
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 279.110672646 u
Formula C14H17NO5
InChI InChI=1S/C14H17NO5/c1-9(16)15(10(2)17)5-4-11-6-12(18-3)14-13(7-11)19-8-20-14/h6-7H,4-5,8H2,1-3H3
InChIKey HDTHKENLARMWSL-UHFFFAOYSA-N
SMILES C1=2C(=C(C=C(C2)CCN(C(=O)C)C(=O)C)OC)OCO1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.860361