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5-Methyl-5-phenylhydantoin trifluoroacetate

View entire compound with spectra: 1 FTIR

5-Methyl-5-phenylhydantoin trifluoroacetate
SpectraBase Compound ID Ja92cmExKxc
InChI InChI=1S/C12H9F3N2O3/c1-11(7-5-3-2-4-6-7)8(18)17(10(20)16-11)9(19)12(13,14)15/h2-6H,1H3,(H,16,20)
InChIKey MVBZGRADIBCYGX-UHFFFAOYSA-N
Mol Weight 286.21 g/mol
Molecular Formula C12H9F3N2O3
Exact Mass 286.056527 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4NHudzU1v6P
Name 5-Methyl-5-phenylhydantoin trifluoroacetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 286.056526644 u
Formula C12H9F3N2O3
InChI InChI=1S/C12H9F3N2O3/c1-11(7-5-3-2-4-6-7)8(18)17(10(20)16-11)9(19)12(13,14)15/h2-6H,1H3,(H,16,20)
InChIKey MVBZGRADIBCYGX-UHFFFAOYSA-N
Molecular Weight 286.210 g/mol
SMILES C1=C(C=CC=C1)C1(C(N(C(=O)C(F)(F)F)C(N1)=O)=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.964777