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3-(4-Methoxyphenyl)propylamine, N-pentafluoropropionyl

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3-(4-Methoxyphenyl)propylamine, N-pentafluoropropionyl
SpectraBase Compound ID Ll3TVy8LLsq
InChI InChI=1S/C13H14F5NO2/c1-21-10-6-4-9(5-7-10)3-2-8-19-11(20)12(14,15)13(16,17)18/h4-7H,2-3,8H2,1H3,(H,19,20)
InChIKey OFPJPPIEDPLYGH-UHFFFAOYSA-N
Mol Weight 311.25 g/mol
Molecular Formula C13H14F5NO2
Exact Mass 311.09447 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LRNLgbaBheW
Name 3-(4-Methoxyphenyl)propylamine, N-pentafluoropropionyl
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 311.094469508 u
Formula C13H14F5NO2
InChI InChI=1S/C13H14F5NO2/c1-21-10-6-4-9(5-7-10)3-2-8-19-11(20)12(14,15)13(16,17)18/h4-7H,2-3,8H2,1H3,(H,19,20)
InChIKey OFPJPPIEDPLYGH-UHFFFAOYSA-N
Molecular Weight 311.252 g/mol
SMILES C1(=CC=C(C=C1)CCCNC(=O)C(F)(F)C(F)(F)F)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.864579