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Terephthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl octadecyl ester

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Terephthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl octadecyl ester
SpectraBase Compound ID EiNKv6QtSP
InChI InChI=1S/C30H43F7O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-40-26(38)24-18-20-25(21-19-24)27(39)41-23-28(31,32)29(33,34)30(35,36)37/h18-21H,2-17,22-23H2,1H3
InChIKey KHMJFUGFWVHMCM-UHFFFAOYSA-N
Mol Weight 600.7 g/mol
Molecular Formula C30H43F7O4
Exact Mass 600.304957 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A2u7d8k0kDZ
Name Terephthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl octadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 600.304957002 u
Formula C30H43F7O4
InChI InChI=1S/C30H43F7O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-40-26(38)24-18-20-25(21-19-24)27(39)41-23-28(31,32)29(33,34)30(35,36)37/h18-21H,2-17,22-23H2,1H3
InChIKey KHMJFUGFWVHMCM-UHFFFAOYSA-N
Molecular Weight 600.659 g/mol
SMILES C1(=CC=C(C=C1)C(OCCCCCCCCCCCCCCCCCC)=O)C(=O)OCC(C(C(F)(F)F)(F)F)(F)F