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3-Methoxyphenethylamine tfa (-o,+2H)

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

3-Methoxyphenethylamine tfa (-o,+2H)
SpectraBase Compound ID LtDePMSDdBb
InChI InChI=1S/C11H14F3NO/c1-16-10-4-2-3-9(7-10)5-6-15-8-11(12,13)14/h2-4,7,15H,5-6,8H2,1H3
InChIKey GBQPQQMJLZHWTJ-UHFFFAOYSA-N
Mol Weight 233.23 g/mol
Molecular Formula C11H14F3NO
Exact Mass 233.102749 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID L0sxK8RkKyo
Name 3-Methoxyphenethylamine tfa (-o,+2H)
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 233.102748563 u
Formula C11H14F3NO
InChI InChI=1S/C11H14F3NO/c1-16-10-4-2-3-9(7-10)5-6-15-8-11(12,13)14/h2-4,7,15H,5-6,8H2,1H3
InChIKey GBQPQQMJLZHWTJ-UHFFFAOYSA-N
Molecular Weight 233.234 g/mol
SMILES C=1(C=C(C=CC1)OC)CCNCC(F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.859928