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Phthalic acid, 1-(pentafluorophenyl)ethyl undecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 1-(pentafluorophenyl)ethyl undecyl ester
SpectraBase Compound ID F1VbCSvBCeb
InChI InChI=1S/C27H31F5O4/c1-3-4-5-6-7-8-9-10-13-16-35-26(33)18-14-11-12-15-19(18)27(34)36-17(2)20-21(28)23(30)25(32)24(31)22(20)29/h11-12,14-15,17H,3-10,13,16H2,1-2H3
InChIKey IAUYDBZMJPZNBJ-UHFFFAOYSA-N
Mol Weight 514.53 g/mol
Molecular Formula C27H31F5O4
Exact Mass 514.21425 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DySCU3r71PO
Name Phthalic acid, 1-(pentafluorophenyl)ethyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 514.214250289 u
Formula C27H31F5O4
InChI InChI=1S/C27H31F5O4/c1-3-4-5-6-7-8-9-10-13-16-35-26(33)18-14-11-12-15-19(18)27(34)36-17(2)20-21(28)23(30)25(32)24(31)22(20)29/h11-12,14-15,17H,3-10,13,16H2,1-2H3
InChIKey IAUYDBZMJPZNBJ-UHFFFAOYSA-N
Molecular Weight 514.533 g/mol
SMILES C1=CC(=C(C=C1)C(=O)OC(C)C1=C(C(=C(C(=C1F)F)F)F)F)C(=O)OCCCCCCCCCCC