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Glutaric acid, di(4-(trifluoromethyl)benzyl) ester

View entire compound with spectra: 1 NMR

Glutaric acid, di(4-(trifluoromethyl)benzyl) ester
SpectraBase Compound ID L4Yt0bbQ1Vu
InChI InChI=1S/C21H18F6O4/c22-20(23,24)16-8-4-14(5-9-16)12-30-18(28)2-1-3-19(29)31-13-15-6-10-17(11-7-15)21(25,26)27/h4-11H,1-3,12-13H2
InChIKey AUUSXXRTGNQAQF-UHFFFAOYSA-N
Mol Weight 448.36 g/mol
Molecular Formula C21H18F6O4
Exact Mass 448.110928 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2NsNln42jHb
Name Glutaric acid, di(4-(trifluoromethyl)benzyl) ester
Comments Computed using HOSE algorithm
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Exact Mass 448.110928034 u
Formula C21H18F6O4
InChI InChI=1S/C21H18F6O4/c22-20(23,24)16-8-4-14(5-9-16)12-30-18(28)2-1-3-19(29)31-13-15-6-10-17(11-7-15)21(25,26)27/h4-11H,1-3,12-13H2
InChIKey AUUSXXRTGNQAQF-UHFFFAOYSA-N
Molecular Weight 448.361 g/mol
SMILES C(OCC1=CC=C(C=C1)C(F)(F)F)(=O)CCCC(OCC1=CC=C(C(F)(F)F)C=C1)=O