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2-(3,4-Methylenedioxyphenyl)butan-1-amine tfa

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

2-(3,4-Methylenedioxyphenyl)butan-1-amine tfa
SpectraBase Compound ID 810gsR1FT7E
InChI InChI=1S/C13H14F3NO3/c1-2-8(6-17-12(18)13(14,15)16)9-3-4-10-11(5-9)20-7-19-10/h3-5,8H,2,6-7H2,1H3,(H,17,18)
InChIKey MEXRRFLCJLNDPC-UHFFFAOYSA-N
Mol Weight 289.25 g/mol
Molecular Formula C13H14F3NO3
Exact Mass 289.092578 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1mgp7US1EEV
Name 2-(3,4-Methylenedioxyphenyl)butan-1-amine tfa
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 289.092577801 u
Formula C13H14F3NO3
InChI InChI=1S/C13H14F3NO3/c1-2-8(6-17-12(18)13(14,15)16)9-3-4-10-11(5-9)20-7-19-10/h3-5,8H,2,6-7H2,1H3,(H,17,18)
InChIKey MEXRRFLCJLNDPC-UHFFFAOYSA-N
Molecular Weight 289.254 g/mol
SMILES C(NCC(C=1C=C2C(=CC1)OCO2)CC)(C(F)(F)F)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.814451