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Triethyl 6,6,6-trifluoro-4-phenylhexane-1,3,3-tricarboxylate
SpectraBase Compound ID 7cDYntZk1Mj
InChI InChI=1S/C21H27F3O6/c1-4-28-17(25)12-13-20(18(26)29-5-2,19(27)30-6-3)16(14-21(22,23)24)15-10-8-7-9-11-15/h7-11,16H,4-6,12-14H2,1-3H3
InChIKey JZRGKNIFBYGFOC-UHFFFAOYSA-N
Mol Weight 432.44 g/mol
Molecular Formula C21H27F3O6
Exact Mass 432.175973 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9N7CWc0IBf2
Name Triethyl 6,6,6-trifluoro-4-phenylhexane-1,3,3-tricarboxylate
Appearance Pale yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H27F3O6
InChI InChI=1S/C21H27F3O6/c1-4-28-17(25)12-13-20(18(26)29-5-2,19(27)30-6-3)16(14-21(22,23)24)15-10-8-7-9-11-15/h7-11,16H,4-6,12-14H2,1-3H3
InChIKey JZRGKNIFBYGFOC-UHFFFAOYSA-N
Instrument Name Agilent Technologies 5973N
Ionization Type EI
Literature Reference DOI 10.1002/anie.202010839
Molecular Weight 432.436 g/mol
SMILES C(CC(C(CC(F)(F)F)c1ccccc1)(C(=O)OCC)C(=O)OCC)C(OCC)=O
SPLASH splash10-0ab9-0921000000-ccd76de1fa4744525acd
Source of Spectrum ACI-60-SM33-7
Wiley ID 1880189