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1-(3-(Trifluoromethyl)phenyl)-2-(N,N-dimethylamino)propan-1-one

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

1-(3-(Trifluoromethyl)phenyl)-2-(N,N-dimethylamino)propan-1-one
SpectraBase Compound ID AMYMleNpn7o
InChI InChI=1S/C12H14F3NO/c1-8(16(2)3)11(17)9-5-4-6-10(7-9)12(13,14)15/h4-8H,1-3H3
InChIKey LMAJWEGEUKLDJJ-UHFFFAOYSA-N
Mol Weight 245.25 g/mol
Molecular Formula C12H14F3NO
Exact Mass 245.102749 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GoypBugyTx3
Name 1-(3-(Trifluoromethyl)phenyl)-2-(N,N-dimethylamino)propan-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 245.102748563 u
Formula C12H14F3NO
InChI InChI=1S/C12H14F3NO/c1-8(16(2)3)11(17)9-5-4-6-10(7-9)12(13,14)15/h4-8H,1-3H3
InChIKey LMAJWEGEUKLDJJ-UHFFFAOYSA-N
Molecular Weight 245.245 g/mol
SMILES C=1(C(F)(F)F)C=C(C(C(N(C)C)C)=O)C=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.898007