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

View entire compound with spectra: 1 NMR

Sebacic acid, 2-bromo-4-fluorophenyl nonyl ester
SpectraBase Compound ID 518Zou2llbN
InChI InChI=1S/C25H38BrFO4/c1-2-3-4-5-8-11-14-19-30-24(28)15-12-9-6-7-10-13-16-25(29)31-23-18-17-21(27)20-22(23)26/h17-18,20H,2-16,19H2,1H3
InChIKey XPJIKTVXPALJIV-UHFFFAOYSA-N
Mol Weight 501.5 g/mol
Molecular Formula C25H38BrFO4
Exact Mass 500.193751 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JZRVdKTxN4w
Name Sebacic acid, 2-bromo-4-fluorophenyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 500.193750863 u
Formula C25H38BrFO4
InChI InChI=1S/C25H38BrFO4/c1-2-3-4-5-8-11-14-19-30-24(28)15-12-9-6-7-10-13-16-25(29)31-23-18-17-21(27)20-22(23)26/h17-18,20H,2-16,19H2,1H3
InChIKey XPJIKTVXPALJIV-UHFFFAOYSA-N
Molecular Weight 501.477 g/mol
SMILES C(CCCCCC(OC1=CC=C(C=C1Br)F)=O)CCC(OCCCCCCCCC)=O