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1-Ethanone, 2,2,2-trifluoro-1-(4-(4-methylbenzoyl)-phenyl]
SpectraBase Compound ID 54McZxIvitR
InChI InChI=1S/C16H11F3O2/c1-10-2-4-11(5-3-10)14(20)12-6-8-13(9-7-12)15(21)16(17,18)19/h2-9H,1H3
InChIKey GAHBPNJUMXMBCT-UHFFFAOYSA-N
Mol Weight 292.26 g/mol
Molecular Formula C16H11F3O2
Exact Mass 292.071114 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2un9v8azo3m
Name 1-Ethanone, 2,2,2-trifluoro-1-(4-(4-methylbenzoyl)-phenyl]
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 292.071114081 u
Formula C16H11F3O2
InChI InChI=1S/C16H11F3O2/c1-10-2-4-11(5-3-10)14(20)12-6-8-13(9-7-12)15(21)16(17,18)19/h2-9H,1H3
InChIKey GAHBPNJUMXMBCT-UHFFFAOYSA-N
Molecular Weight 292.257 g/mol
SMILES C(=O)(C1=CC=C(C=C1)C)C1=CC=C(C(C(F)(F)F)=O)C=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.862463