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Phthalic acid, pentadecyl pentafluorophenyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, pentadecyl pentafluorophenyl ester
SpectraBase Compound ID 3vfHxJifCTU
InChI InChI=1S/C29H35F5O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-37-28(35)20-17-14-15-18-21(20)29(36)38-27-25(33)23(31)22(30)24(32)26(27)34/h14-15,17-18H,2-13,16,19H2,1H3
InChIKey SVRJQQDXCMLKHX-UHFFFAOYSA-N
Mol Weight 542.6 g/mol
Molecular Formula C29H35F5O4
Exact Mass 542.24555 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1QmGIieoUcJ
Name Phthalic acid, pentadecyl pentafluorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 542.245550418 u
Formula C29H35F5O4
InChI InChI=1S/C29H35F5O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-37-28(35)20-17-14-15-18-21(20)29(36)38-27-25(33)23(31)22(30)24(32)26(27)34/h14-15,17-18H,2-13,16,19H2,1H3
InChIKey SVRJQQDXCMLKHX-UHFFFAOYSA-N
Molecular Weight 542.587 g/mol
SMILES C1=CC=CC(=C1C(=O)OCCCCCCCCCCCCCCC)C(OC1=C(C(=C(C(=C1F)F)F)F)F)=O