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

View entire compound with spectra: 1 NMR

Phthalic acid, 5-bromo-2-methoxybenzyl pentyl ester
SpectraBase Compound ID GvulHOIg6j6
InChI InChI=1S/C21H23BrO5/c1-3-4-7-12-26-20(23)17-8-5-6-9-18(17)21(24)27-14-15-13-16(22)10-11-19(15)25-2/h5-6,8-11,13H,3-4,7,12,14H2,1-2H3
InChIKey XQKFFSHAKFEDLZ-UHFFFAOYSA-N
Mol Weight 435.31 g/mol
Molecular Formula C21H23BrO5
Exact Mass 434.072887 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8YBcjzbcMoC
Name Phthalic acid, 5-bromo-2-methoxybenzyl pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 434.072886836 u
Formula C21H23BrO5
InChI InChI=1S/C21H23BrO5/c1-3-4-7-12-26-20(23)17-8-5-6-9-18(17)21(24)27-14-15-13-16(22)10-11-19(15)25-2/h5-6,8-11,13H,3-4,7,12,14H2,1-2H3
InChIKey XQKFFSHAKFEDLZ-UHFFFAOYSA-N
Molecular Weight 435.314 g/mol
SMILES C1=CC(=C(C=C1)C(=O)OCC1=CC(=CC=C1OC)Br)C(=O)OCCCCC