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Phthalic acid, decyl 1-(pentafluorophenyl)ethyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, decyl 1-(pentafluorophenyl)ethyl ester
SpectraBase Compound ID 9djyOE34aIR
InChI InChI=1S/C26H29F5O4/c1-3-4-5-6-7-8-9-12-15-34-25(32)17-13-10-11-14-18(17)26(33)35-16(2)19-20(27)22(29)24(31)23(30)21(19)28/h10-11,13-14,16H,3-9,12,15H2,1-2H3
InChIKey AHGBRALKZDJMSB-UHFFFAOYSA-N
Mol Weight 500.51 g/mol
Molecular Formula C26H29F5O4
Exact Mass 500.1986 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BGapCGH433i
Name Phthalic acid, decyl 1-(pentafluorophenyl)ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 500.198600225 u
Formula C26H29F5O4
InChI InChI=1S/C26H29F5O4/c1-3-4-5-6-7-8-9-12-15-34-25(32)17-13-10-11-14-18(17)26(33)35-16(2)19-20(27)22(29)24(31)23(30)21(19)28/h10-11,13-14,16H,3-9,12,15H2,1-2H3
InChIKey AHGBRALKZDJMSB-UHFFFAOYSA-N
Molecular Weight 500.506 g/mol
SMILES C1=CC(=C(C=C1)C(=O)OC(C)C1=C(C(=C(C(=C1F)F)F)F)F)C(=O)OCCCCCCCCCC