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

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Phthalic acid, 2-bromo-4-fluorophenyl neopentyl ester
SpectraBase Compound ID 5GIFeA9sTuZ
InChI InChI=1S/C19H18BrFO4/c1-19(2,3)11-24-17(22)13-6-4-5-7-14(13)18(23)25-16-9-8-12(21)10-15(16)20/h4-10H,11H2,1-3H3
InChIKey QYHKLMFRXKBJGW-UHFFFAOYSA-N
Mol Weight 409.25 g/mol
Molecular Formula C19H18BrFO4
Exact Mass 408.03725 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7z2wj3sElMX
Name Phthalic acid, 2-bromo-4-fluorophenyl neopentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 408.037250219 u
Formula C19H18BrFO4
InChI InChI=1S/C19H18BrFO4/c1-19(2,3)11-24-17(22)13-6-4-5-7-14(13)18(23)25-16-9-8-12(21)10-15(16)20/h4-10H,11H2,1-3H3
InChIKey QYHKLMFRXKBJGW-UHFFFAOYSA-N
Molecular Weight 409.251 g/mol
SMILES C(OC1=CC=C(C=C1Br)F)(=O)C1=C(C=CC=C1)C(OCC(C)(C)C)=O