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Phthalic acid, 4-fluorobenzyl undecyl ester
SpectraBase Compound ID 8y6lTHte3DT
InChI InChI=1S/C26H33FO4/c1-2-3-4-5-6-7-8-9-12-19-30-25(28)23-13-10-11-14-24(23)26(29)31-20-21-15-17-22(27)18-16-21/h10-11,13-18H,2-9,12,19-20H2,1H3
InChIKey SYJGKKZXUZIRTO-UHFFFAOYSA-N
Mol Weight 428.5 g/mol
Molecular Formula C26H33FO4
Exact Mass 428.236288 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L3evpCH4INt
Name Phthalic acid, 4-fluorobenzyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 428.236287702 u
Formula C26H33FO4
InChI InChI=1S/C26H33FO4/c1-2-3-4-5-6-7-8-9-12-19-30-25(28)23-13-10-11-14-24(23)26(29)31-20-21-15-17-22(27)18-16-21/h10-11,13-18H,2-9,12,19-20H2,1H3
InChIKey SYJGKKZXUZIRTO-UHFFFAOYSA-N
Molecular Weight 428.544 g/mol
SMILES C(C1=CC=CC=C1C(OCC1=CC=C(C=C1)F)=O)(OCCCCCCCCCCC)=O