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

View entire compound with spectra: 1 NMR

Sebacic acid, 2-bromo-4-fluorophenyl isobutyl ester
SpectraBase Compound ID AwpPrsBhV5U
InChI InChI=1S/C20H28BrFO4/c1-15(2)14-25-19(23)9-7-5-3-4-6-8-10-20(24)26-18-12-11-16(22)13-17(18)21/h11-13,15H,3-10,14H2,1-2H3
InChIKey XJVNZYHEQNNONC-UHFFFAOYSA-N
Mol Weight 431.34 g/mol
Molecular Formula C20H28BrFO4
Exact Mass 430.115501 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9DueO4DKIv0
Name Sebacic acid, 2-bromo-4-fluorophenyl isobutyl ester
Comments Computed using HOSE algorithm
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Exact Mass 430.115500541 u
Formula C20H28BrFO4
InChI InChI=1S/C20H28BrFO4/c1-15(2)14-25-19(23)9-7-5-3-4-6-8-10-20(24)26-18-12-11-16(22)13-17(18)21/h11-13,15H,3-10,14H2,1-2H3
InChIKey XJVNZYHEQNNONC-UHFFFAOYSA-N
Molecular Weight 431.342 g/mol
SMILES C(CCCCCC(OC1=CC=C(C=C1Br)F)=O)CCC(OCC(C)C)=O