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

View entire compound with spectra: 1 NMR

Succinic acid, 2,2,3,3,4,4,4-heptafluorobutyl 4-isopropylphenyl ester
SpectraBase Compound ID IsNfXsAzfFo
InChI InChI=1S/C17H17F7O4/c1-10(2)11-3-5-12(6-4-11)28-14(26)8-7-13(25)27-9-15(18,19)16(20,21)17(22,23)24/h3-6,10H,7-9H2,1-2H3
InChIKey CSYKNNSZXLQVBV-UHFFFAOYSA-N
Mol Weight 418.31 g/mol
Molecular Formula C17H17F7O4
Exact Mass 418.101506 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G69CNckLxsZ
Name Succinic acid, 2,2,3,3,4,4,4-heptafluorobutyl 4-isopropylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 418.101506164 u
Formula C17H17F7O4
InChI InChI=1S/C17H17F7O4/c1-10(2)11-3-5-12(6-4-11)28-14(26)8-7-13(25)27-9-15(18,19)16(20,21)17(22,23)24/h3-6,10H,7-9H2,1-2H3
InChIKey CSYKNNSZXLQVBV-UHFFFAOYSA-N
Molecular Weight 418.308 g/mol
SMILES CC(C)C1=CC=C(OC(CCC(=O)OCC(C(C(F)(F)F)(F)F)(F)F)=O)C=C1