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Phthalic acid, 2-(4-bromophenoxy)ethyl isobutyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2-(4-bromophenoxy)ethyl isobutyl ester
SpectraBase Compound ID DpJqOzg1JGi
InChI InChI=1S/C20H21BrO5/c1-14(2)13-26-20(23)18-6-4-3-5-17(18)19(22)25-12-11-24-16-9-7-15(21)8-10-16/h3-10,14H,11-13H2,1-2H3
InChIKey XTADTZSFBFCOQI-UHFFFAOYSA-N
Mol Weight 421.29 g/mol
Molecular Formula C20H21BrO5
Exact Mass 420.057237 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AAv53CACchv
Name Phthalic acid, 2-(4-bromophenoxy)ethyl isobutyl ester
Comments Computed using HOSE algorithm
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Exact Mass 420.057236771 u
Formula C20H21BrO5
InChI InChI=1S/C20H21BrO5/c1-14(2)13-26-20(23)18-6-4-3-5-17(18)19(22)25-12-11-24-16-9-7-15(21)8-10-16/h3-10,14H,11-13H2,1-2H3
InChIKey XTADTZSFBFCOQI-UHFFFAOYSA-N
Molecular Weight 421.287 g/mol
SMILES C1=CC(=C(C=C1)C(=O)OCCOC1=CC=C(C=C1)Br)C(=O)OCC(C)C