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1-(4-Methoxyphenyl)-2-iso-propylaminopropan-1-one tfa

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

1-(4-Methoxyphenyl)-2-iso-propylaminopropan-1-one tfa
SpectraBase Compound ID 9pdN3ejlJ3p
InChI InChI=1S/C15H18F3NO3/c1-9(2)19(14(21)15(16,17)18)10(3)13(20)11-5-7-12(22-4)8-6-11/h5-10H,1-4H3
InChIKey WMQMNZAZCHYEQX-UHFFFAOYSA-N
Mol Weight 317.31 g/mol
Molecular Formula C15H18F3NO3
Exact Mass 317.123878 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AXWdb9Wy5Rg
Name 1-(4-Methoxyphenyl)-2-iso-propylaminopropan-1-one tfa
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 317.123877930 u
Formula C15H18F3NO3
InChI InChI=1S/C15H18F3NO3/c1-9(2)19(14(21)15(16,17)18)10(3)13(20)11-5-7-12(22-4)8-6-11/h5-10H,1-4H3
InChIKey WMQMNZAZCHYEQX-UHFFFAOYSA-N
Molecular Weight 317.308 g/mol
SMILES C(N(C(C(F)(F)F)=O)C(C)C)(C(C1=CC=C(C=C1)OC)=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.865577