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Succinic acid, 3,4-dimethylphenyl 2,2,3,3,4,4,4-heptafluorobutyl ester

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Succinic acid, 3,4-dimethylphenyl 2,2,3,3,4,4,4-heptafluorobutyl ester
SpectraBase Compound ID IcA3ZeKYKov
InChI InChI=1S/C16H15F7O4/c1-9-3-4-11(7-10(9)2)27-13(25)6-5-12(24)26-8-14(17,18)15(19,20)16(21,22)23/h3-4,7H,5-6,8H2,1-2H3
InChIKey LFKIPKNJBIEWNR-UHFFFAOYSA-N
Mol Weight 404.28 g/mol
Molecular Formula C16H15F7O4
Exact Mass 404.085856 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1OsNSPNkqXI
Name Succinic acid, 3,4-dimethylphenyl 2,2,3,3,4,4,4-heptafluorobutyl ester
Comments Computed using HOSE algorithm
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Exact Mass 404.085856100 u
Formula C16H15F7O4
InChI InChI=1S/C16H15F7O4/c1-9-3-4-11(7-10(9)2)27-13(25)6-5-12(24)26-8-14(17,18)15(19,20)16(21,22)23/h3-4,7H,5-6,8H2,1-2H3
InChIKey LFKIPKNJBIEWNR-UHFFFAOYSA-N
Molecular Weight 404.281 g/mol
SMILES C1=C(C=C(C(=C1)C)C)OC(=O)CCC(=O)OCC(C(C(F)(F)F)(F)F)(F)F