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2-(2,4-Dimethoxyphenyl)ethylamine, pfp
SpectraBase Compound ID E0shJczZybC
InChI InChI=1S/C13H14F5NO3/c1-21-9-4-3-8(10(7-9)22-2)5-6-19-11(20)12(14,15)13(16,17)18/h3-4,7H,5-6H2,1-2H3,(H,19,20)
InChIKey HYPPBXOGGVQJQM-UHFFFAOYSA-N
Mol Weight 327.25 g/mol
Molecular Formula C13H14F5NO3
Exact Mass 327.089384 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID H4RztiXPomH
Name 2-(2,4-Dimethoxyphenyl)ethylamine, pfp
Comments Computed using SmartSpectra Model v1.42
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Exact Mass 327.089384127 u
Formula C13H14F5NO3
InChI InChI=1S/C13H14F5NO3/c1-21-9-4-3-8(10(7-9)22-2)5-6-19-11(20)12(14,15)13(16,17)18/h3-4,7H,5-6H2,1-2H3,(H,19,20)
InChIKey HYPPBXOGGVQJQM-UHFFFAOYSA-N
Molecular Weight 327.251 g/mol
SMILES C1(=CC(=C(C=C1)CCNC(=O)C(F)(F)C(F)(F)F)OC)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.879329