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N-Ethyl-beta-methoxy-3,4-methylenedioxyphenethylamine

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

N-Ethyl-beta-methoxy-3,4-methylenedioxyphenethylamine
SpectraBase Compound ID 5GXGwYMeeD7
InChI InChI=1S/C12H17NO3/c1-3-13-7-12(14-2)9-4-5-10-11(6-9)16-8-15-10/h4-6,12-13H,3,7-8H2,1-2H3
InChIKey BMDQRYCVJJRPMS-UHFFFAOYSA-N
Mol Weight 223.27 g/mol
Molecular Formula C12H17NO3
Exact Mass 223.120843 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BG0h4tbprm0
Name N-Ethyl-beta-methoxy-3,4-methylenedioxyphenethylamine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 223.120843408 u
Formula C12H17NO3
InChI InChI=1S/C12H17NO3/c1-3-13-7-12(14-2)9-4-5-10-11(6-9)16-8-15-10/h4-6,12-13H,3,7-8H2,1-2H3
InChIKey BMDQRYCVJJRPMS-UHFFFAOYSA-N
Molecular Weight 223.272 g/mol
SMILES C=1(C(CNCC)OC)C=C2C(=CC1)OCO2
Spectrum/Structure Validation Score (Vapor Phase IR) 0.961623