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3-Methoxy-4,5-methylenedioxyphenethylamine hfb

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

3-Methoxy-4,5-methylenedioxyphenethylamine hfb
SpectraBase Compound ID KcT8I5HzTti
InChI InChI=1S/C14H12F7NO4/c1-24-8-4-7(5-9-10(8)26-6-25-9)2-3-22-11(23)12(15,16)13(17,18)14(19,20)21/h4-5H,2-3,6H2,1H3,(H,22,23)
InChIKey YMEZSHQVTBNLEI-UHFFFAOYSA-N
Mol Weight 391.24 g/mol
Molecular Formula C14H12F7NO4
Exact Mass 391.065455 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Ka96sB1jfRF
Name 3-Methoxy-4,5-methylenedioxyphenethylamine hfb
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 391.065455007 u
Formula C14H12F7NO4
InChI InChI=1S/C14H12F7NO4/c1-24-8-4-7(5-9-10(8)26-6-25-9)2-3-22-11(23)12(15,16)13(17,18)14(19,20)21/h4-5H,2-3,6H2,1H3,(H,22,23)
InChIKey YMEZSHQVTBNLEI-UHFFFAOYSA-N
Molecular Weight 391.242 g/mol
SMILES C(C(C(NCCC=1C=C2C(=C(C1)OC)OCO2)=O)(F)F)(C(F)(F)F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.885743