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Glutaric acid, eicosyl 1-(pentafluorophenyl)ethyl ester
SpectraBase Compound ID LuxrGoaiC7D
InChI InChI=1S/C33H51F5O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-41-26(39)22-21-23-27(40)42-25(2)28-29(34)31(36)33(38)32(37)30(28)35/h25H,3-24H2,1-2H3
InChIKey ABRVUIOYOOECMM-UHFFFAOYSA-N
Mol Weight 606.8 g/mol
Molecular Formula C33H51F5O4
Exact Mass 606.370751 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F6tE9gRZph0
Name Glutaric acid, eicosyl 1-(pentafluorophenyl)ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 606.370750933 u
Formula C33H51F5O4
InChI InChI=1S/C33H51F5O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-41-26(39)22-21-23-27(40)42-25(2)28-29(34)31(36)33(38)32(37)30(28)35/h25H,3-24H2,1-2H3
InChIKey ABRVUIOYOOECMM-UHFFFAOYSA-N
Molecular Weight 606.759 g/mol
SMILES C(OC(C)C1=C(C(=C(C(=C1F)F)F)F)F)(=O)CCCC(OCCCCCCCCCCCCCCCCCCCC)=O