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

View entire compound with spectra: 1 NMR

Sebacic acid, 2-bromo-4-fluorophenyl heptyl ester
SpectraBase Compound ID 12s1ysnHPVW
InChI InChI=1S/C23H34BrFO4/c1-2-3-4-9-12-17-28-22(26)13-10-7-5-6-8-11-14-23(27)29-21-16-15-19(25)18-20(21)24/h15-16,18H,2-14,17H2,1H3
InChIKey TVURTGRHOFDBMJ-UHFFFAOYSA-N
Mol Weight 473.4 g/mol
Molecular Formula C23H34BrFO4
Exact Mass 472.162451 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dz9OYokdGM3
Name Sebacic acid, 2-bromo-4-fluorophenyl heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 472.162450734 u
Formula C23H34BrFO4
InChI InChI=1S/C23H34BrFO4/c1-2-3-4-9-12-17-28-22(26)13-10-7-5-6-8-11-14-23(27)29-21-16-15-19(25)18-20(21)24/h15-16,18H,2-14,17H2,1H3
InChIKey TVURTGRHOFDBMJ-UHFFFAOYSA-N
Molecular Weight 473.423 g/mol
SMILES C(CCCCCC(OC1=CC=C(C=C1Br)F)=O)CCC(OCCCCCCC)=O