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3-(2,6-dioxo-1-(2-(trifluoromethyl)benzyl)cyclohexyl)propanal
SpectraBase Compound ID IOdtHOtM9ZV
InChI InChI=1S/C17H17F3O3/c18-17(19,20)13-6-2-1-5-12(13)11-16(9-4-10-21)14(22)7-3-8-15(16)23/h1-2,5-6,10H,3-4,7-9,11H2
InChIKey IOWSJZBIBMLVPF-UHFFFAOYSA-N
Mol Weight 326.32 g/mol
Molecular Formula C17H17F3O3
Exact Mass 326.112979 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8kXmi7Pfxrj
Name 3-(2,6-dioxo-1-(2-(trifluoromethyl)benzyl)cyclohexyl)propanal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17F3O3
InChI InChI=1S/C17H17F3O3/c18-17(19,20)13-6-2-1-5-12(13)11-16(9-4-10-21)14(22)7-3-8-15(16)23/h1-2,5-6,10H,3-4,7-9,11H2
InChIKey IOWSJZBIBMLVPF-UHFFFAOYSA-N
Molecular Weight 326.315 g/mol
SMILES C1(=O)CCCC(C1(Cc1ccccc1C(F)(F)F)CCC=O)=O
SPLASH splash10-0a4i-0914000000-378bde16c5925a04aa16
Source of Spectrum CAJ-6-1344/SM9-9k
Wiley ID 1773050