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Phthalic acid, pentadecyl 2,3,4,5-tetrafluorobenzyl ester

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Phthalic acid, pentadecyl 2,3,4,5-tetrafluorobenzyl ester
SpectraBase Compound ID EGoPUKmwQZp
InChI InChI=1S/C30H38F4O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-37-29(35)23-17-14-15-18-24(23)30(36)38-21-22-20-25(31)27(33)28(34)26(22)32/h14-15,17-18,20H,2-13,16,19,21H2,1H3
InChIKey UFYLVOLVGISCIO-UHFFFAOYSA-N
Mol Weight 538.6 g/mol
Molecular Formula C30H38F4O4
Exact Mass 538.270622 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2l4YQv34xIx
Name Phthalic acid, pentadecyl 2,3,4,5-tetrafluorobenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 538.270622352 u
Formula C30H38F4O4
InChI InChI=1S/C30H38F4O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-37-29(35)23-17-14-15-18-24(23)30(36)38-21-22-20-25(31)27(33)28(34)26(22)32/h14-15,17-18,20H,2-13,16,19,21H2,1H3
InChIKey UFYLVOLVGISCIO-UHFFFAOYSA-N
Molecular Weight 538.624 g/mol
SMILES C(C1=CC=CC=C1C(OCC1=C(C(=C(C(=C1)F)F)F)F)=O)(OCCCCCCCCCCCCCCC)=O