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2-(2,4,5-Trimethoxyphenyl)ethylamine, pfp

View entire compound with spectra: 1 NMR, and 1 FTIR

2-(2,4,5-Trimethoxyphenyl)ethylamine, pfp
SpectraBase Compound ID 9gLhG8mOaTT
InChI InChI=1S/C14H16F5NO4/c1-22-9-7-11(24-3)10(23-2)6-8(9)4-5-20-12(21)13(15,16)14(17,18)19/h6-7H,4-5H2,1-3H3,(H,20,21)
InChIKey KOROIOGYFPXVEV-UHFFFAOYSA-N
Mol Weight 357.28 g/mol
Molecular Formula C14H16F5NO4
Exact Mass 357.099949 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5sWaW3v4WCY
Name 2-(2,4,5-Trimethoxyphenyl)ethylamine, pfp
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 357.099948810 u
Formula C14H16F5NO4
InChI InChI=1S/C14H16F5NO4/c1-22-9-7-11(24-3)10(23-2)6-8(9)4-5-20-12(21)13(15,16)14(17,18)19/h6-7H,4-5H2,1-3H3,(H,20,21)
InChIKey KOROIOGYFPXVEV-UHFFFAOYSA-N
Molecular Weight 357.277 g/mol
SMILES COC1=C(C=C(CCNC(=O)C(F)(F)C(F)(F)F)C(=C1)OC)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.808479