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Phthalic acid, decyl 2-(pentafluorophenoxy)ethyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, decyl 2-(pentafluorophenoxy)ethyl ester
SpectraBase Compound ID sJuGFXbyDf
InChI InChI=1S/C26H29F5O5/c1-2-3-4-5-6-7-8-11-14-35-25(32)17-12-9-10-13-18(17)26(33)36-16-15-34-24-22(30)20(28)19(27)21(29)23(24)31/h9-10,12-13H,2-8,11,14-16H2,1H3
InChIKey JBOYYQQPLCFXDI-UHFFFAOYSA-N
Mol Weight 516.51 g/mol
Molecular Formula C26H29F5O5
Exact Mass 516.193515 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JKltFHloVkD
Name Phthalic acid, decyl 2-(pentafluorophenoxy)ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 516.193514844 u
Formula C26H29F5O5
InChI InChI=1S/C26H29F5O5/c1-2-3-4-5-6-7-8-11-14-35-25(32)17-12-9-10-13-18(17)26(33)36-16-15-34-24-22(30)20(28)19(27)21(29)23(24)31/h9-10,12-13H,2-8,11,14-16H2,1H3
InChIKey JBOYYQQPLCFXDI-UHFFFAOYSA-N
Molecular Weight 516.505 g/mol
SMILES C(C1=CC=CC=C1C(OCCOC1=C(C(=C(C(=C1F)F)F)F)F)=O)(OCCCCCCCCCC)=O