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1-(2,4-Dimethylphenyl)-2,2,3,3,4,4,4-heptafluorobutan-1-one

View entire compound with spectra: 1 FTIR

1-(2,4-Dimethylphenyl)-2,2,3,3,4,4,4-heptafluorobutan-1-one
SpectraBase Compound ID D2vE2lzOs8F
InChI InChI=1S/C12H9F7O/c1-6-3-4-8(7(2)5-6)9(20)10(13,14)11(15,16)12(17,18)19/h3-5H,1-2H3
InChIKey YBKCJCRONQBROH-UHFFFAOYSA-N
Mol Weight 302.19 g/mol
Molecular Formula C12H9F7O
Exact Mass 302.054162 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ChMqztbnABk
Name 1-(2,4-Dimethylphenyl)-2,2,3,3,4,4,4-heptafluorobutan-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 302.054162050 u
Formula C12H9F7O
InChI InChI=1S/C12H9F7O/c1-6-3-4-8(7(2)5-6)9(20)10(13,14)11(15,16)12(17,18)19/h3-5H,1-2H3
InChIKey YBKCJCRONQBROH-UHFFFAOYSA-N
Molecular Weight 302.192 g/mol
SMILES CC1=CC=C(C(=C1)C)C(C(C(C(F)(F)F)(F)F)(F)F)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.937397