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2-(4-Methoxyphenyl)-2-ketoethylamine, pfp

View entire compound with spectra: 1 NMR, and 1 FTIR

2-(4-Methoxyphenyl)-2-ketoethylamine, pfp
SpectraBase Compound ID CZ1Rw6TAtU
InChI InChI=1S/C12H10F5NO3/c1-21-8-4-2-7(3-5-8)9(19)6-18-10(20)11(13,14)12(15,16)17/h2-5H,6H2,1H3,(H,18,20)
InChIKey KPNIHDFOAHJJPM-UHFFFAOYSA-N
Mol Weight 311.21 g/mol
Molecular Formula C12H10F5NO3
Exact Mass 311.058084 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5DrFckgZI0e
Name 2-(4-Methoxyphenyl)-2-ketoethylamine, pfp
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 311.058083998 u
Formula C12H10F5NO3
InChI InChI=1S/C12H10F5NO3/c1-21-8-4-2-7(3-5-8)9(19)6-18-10(20)11(13,14)12(15,16)17/h2-5H,6H2,1H3,(H,18,20)
InChIKey KPNIHDFOAHJJPM-UHFFFAOYSA-N
Molecular Weight 311.208 g/mol
SMILES C1=C(C=CC(=C1)OC)C(CNC(=O)C(F)(F)C(F)(F)F)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.870481