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Glutaric acid, 1,1,1-trifluoroprop-2-yl 3-phenoxybenzyl ester

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Glutaric acid, 1,1,1-trifluoroprop-2-yl 3-phenoxybenzyl ester
SpectraBase Compound ID 6L479gIZfnh
InChI InChI=1S/C21H21F3O5/c1-15(21(22,23)24)28-20(26)12-6-11-19(25)27-14-16-7-5-10-18(13-16)29-17-8-3-2-4-9-17/h2-5,7-10,13,15H,6,11-12,14H2,1H3
InChIKey ONVBPOIYIXKSPR-UHFFFAOYSA-N
Mol Weight 410.39 g/mol
Molecular Formula C21H21F3O5
Exact Mass 410.134108 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DQhjxEPNKZa
Name Glutaric acid, 1,1,1-trifluoroprop-2-yl 3-phenoxybenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 410.134108260 u
Formula C21H21F3O5
InChI InChI=1S/C21H21F3O5/c1-15(21(22,23)24)28-20(26)12-6-11-19(25)27-14-16-7-5-10-18(13-16)29-17-8-3-2-4-9-17/h2-5,7-10,13,15H,6,11-12,14H2,1H3
InChIKey ONVBPOIYIXKSPR-UHFFFAOYSA-N
Molecular Weight 410.389 g/mol
SMILES C(CCC(OC(C)C(F)(F)F)=O)C(OCC1=CC=CC(OC2=CC=CC=C2)=C1)=O