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Terephthalic acid, 2-bromo-4-fluorophenyl decyl ester

View entire compound with spectra: 1 NMR

Terephthalic acid, 2-bromo-4-fluorophenyl decyl ester
SpectraBase Compound ID C1rZzBqzN8f
InChI InChI=1S/C24H28BrFO4/c1-2-3-4-5-6-7-8-9-16-29-23(27)18-10-12-19(13-11-18)24(28)30-22-15-14-20(26)17-21(22)25/h10-15,17H,2-9,16H2,1H3
InChIKey CCLNSGBSLGKYAQ-UHFFFAOYSA-N
Mol Weight 479.39 g/mol
Molecular Formula C24H28BrFO4
Exact Mass 478.115501 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4dtpBe6cHjw
Name Terephthalic acid, 2-bromo-4-fluorophenyl decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 478.115500541 u
Formula C24H28BrFO4
InChI InChI=1S/C24H28BrFO4/c1-2-3-4-5-6-7-8-9-16-29-23(27)18-10-12-19(13-11-18)24(28)30-22-15-14-20(26)17-21(22)25/h10-15,17H,2-9,16H2,1H3
InChIKey CCLNSGBSLGKYAQ-UHFFFAOYSA-N
Molecular Weight 479.386 g/mol
SMILES C(C1=CC=C(C=C1)C(OCCCCCCCCCC)=O)(OC1=CC=C(C=C1Br)F)=O