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Glutaric acid, tridec-2-yn-1-yl 2-bromo-4-fluorophenyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, tridec-2-yn-1-yl 2-bromo-4-fluorophenyl ester
SpectraBase Compound ID IrQeTBChURt
InChI InChI=1S/C24H32BrFO4/c1-2-3-4-5-6-7-8-9-10-11-12-18-29-23(27)14-13-15-24(28)30-22-17-16-20(26)19-21(22)25/h16-17,19H,2-10,13-15,18H2,1H3
InChIKey LEQLPUHRFBFQTG-UHFFFAOYSA-N
Mol Weight 483.4 g/mol
Molecular Formula C24H32BrFO4
Exact Mass 482.146801 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DaPYgs7mj9e
Name Glutaric acid, tridec-2-yn-1-yl 2-bromo-4-fluorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 482.146800669 u
Formula C24H32BrFO4
InChI InChI=1S/C24H32BrFO4/c1-2-3-4-5-6-7-8-9-10-11-12-18-29-23(27)14-13-15-24(28)30-22-17-16-20(26)19-21(22)25/h16-17,19H,2-10,13-15,18H2,1H3
InChIKey LEQLPUHRFBFQTG-UHFFFAOYSA-N
Molecular Weight 483.418 g/mol
SMILES C(CCC(OCC#CCCCCCCCCCC)=O)C(OC=1C(=CC(=CC1)F)Br)=O