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Sebacic acid, 2-bromo-4-fluorophenyl tridecyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 2-bromo-4-fluorophenyl tridecyl ester
SpectraBase Compound ID Cj3d28GjffP
InChI InChI=1S/C29H46BrFO4/c1-2-3-4-5-6-7-8-9-12-15-18-23-34-28(32)19-16-13-10-11-14-17-20-29(33)35-27-22-21-25(31)24-26(27)30/h21-22,24H,2-20,23H2,1H3
InChIKey BSRYTRFZHWXWIH-UHFFFAOYSA-N
Mol Weight 557.6 g/mol
Molecular Formula C29H46BrFO4
Exact Mass 556.256351 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 96LqtIoVy6w
Name Sebacic acid, 2-bromo-4-fluorophenyl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 556.256351120 u
Formula C29H46BrFO4
InChI InChI=1S/C29H46BrFO4/c1-2-3-4-5-6-7-8-9-12-15-18-23-34-28(32)19-16-13-10-11-14-17-20-29(33)35-27-22-21-25(31)24-26(27)30/h21-22,24H,2-20,23H2,1H3
InChIKey BSRYTRFZHWXWIH-UHFFFAOYSA-N
Molecular Weight 557.585 g/mol
SMILES C(CCCCCC(OC1=CC=C(C=C1Br)F)=O)CCC(OCCCCCCCCCCCCC)=O