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Phthalic acid, 5-bromo-2-methoxybenzyl isobutyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 5-bromo-2-methoxybenzyl isobutyl ester
SpectraBase Compound ID smK6vKfpTC
InChI InChI=1S/C20H21BrO5/c1-13(2)11-25-19(22)16-6-4-5-7-17(16)20(23)26-12-14-10-15(21)8-9-18(14)24-3/h4-10,13H,11-12H2,1-3H3
InChIKey VAFNTFBFKXHXOZ-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 LYiyAnwFwNM
Name Phthalic acid, 5-bromo-2-methoxybenzyl isobutyl ester
Comments Computed using HOSE algorithm
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Exact Mass 420.057236771 u
Formula C20H21BrO5
InChI InChI=1S/C20H21BrO5/c1-13(2)11-25-19(22)16-6-4-5-7-17(16)20(23)26-12-14-10-15(21)8-9-18(14)24-3/h4-10,13H,11-12H2,1-3H3
InChIKey VAFNTFBFKXHXOZ-UHFFFAOYSA-N
Molecular Weight 421.287 g/mol
SMILES C1=CC(=C(C=C1)C(=O)OCC1=CC(=CC=C1OC)Br)C(=O)OCC(C)C