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Phthalic acid, 2-bromo-5-fluorobenzyl tridecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2-bromo-5-fluorobenzyl tridecyl ester
SpectraBase Compound ID JG70eg42YPq
InChI InChI=1S/C28H36BrFO4/c1-2-3-4-5-6-7-8-9-10-11-14-19-33-27(31)24-15-12-13-16-25(24)28(32)34-21-22-20-23(30)17-18-26(22)29/h12-13,15-18,20H,2-11,14,19,21H2,1H3
InChIKey OIQITNGGQNQCAE-UHFFFAOYSA-N
Mol Weight 535.5 g/mol
Molecular Formula C28H36BrFO4
Exact Mass 534.178101 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F5pndTB56Kh
Name Phthalic acid, 2-bromo-5-fluorobenzyl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 534.178100798 u
Formula C28H36BrFO4
InChI InChI=1S/C28H36BrFO4/c1-2-3-4-5-6-7-8-9-10-11-14-19-33-27(31)24-15-12-13-16-25(24)28(32)34-21-22-20-23(30)17-18-26(22)29/h12-13,15-18,20H,2-11,14,19,21H2,1H3
InChIKey OIQITNGGQNQCAE-UHFFFAOYSA-N
Molecular Weight 535.494 g/mol
SMILES C(C1=CC=CC=C1C(=O)OCC=1C(Br)=CC=C(F)C1)(OCCCCCCCCCCCCC)=O