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Phthalic acid, 2-bromo-4-fluorophenyl octyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2-bromo-4-fluorophenyl octyl ester
SpectraBase Compound ID 7C4git7kob2
InChI InChI=1S/C22H24BrFO4/c1-2-3-4-5-6-9-14-27-21(25)17-10-7-8-11-18(17)22(26)28-20-13-12-16(24)15-19(20)23/h7-8,10-13,15H,2-6,9,14H2,1H3
InChIKey RPRVFADNEBFKCQ-UHFFFAOYSA-N
Mol Weight 451.33 g/mol
Molecular Formula C22H24BrFO4
Exact Mass 450.0842 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CKI2C3Yx3zU
Name Phthalic acid, 2-bromo-4-fluorophenyl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 450.084200412 u
Formula C22H24BrFO4
InChI InChI=1S/C22H24BrFO4/c1-2-3-4-5-6-9-14-27-21(25)17-10-7-8-11-18(17)22(26)28-20-13-12-16(24)15-19(20)23/h7-8,10-13,15H,2-6,9,14H2,1H3
InChIKey RPRVFADNEBFKCQ-UHFFFAOYSA-N
Molecular Weight 451.332 g/mol
SMILES CCCCCCCCOC(C1=CC=CC=C1C(OC1=CC=C(C=C1Br)F)=O)=O