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

View entire compound with spectra: 1 NMR

Phthalic acid, 5-bromo-2-methoxybenzyl propyl ester
SpectraBase Compound ID H16N2VJ4Nhf
InChI InChI=1S/C19H19BrO5/c1-3-10-24-18(21)15-6-4-5-7-16(15)19(22)25-12-13-11-14(20)8-9-17(13)23-2/h4-9,11H,3,10,12H2,1-2H3
InChIKey ALZIFKWDHZADDD-UHFFFAOYSA-N
Mol Weight 407.26 g/mol
Molecular Formula C19H19BrO5
Exact Mass 406.041587 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DNPx78yFkEn
Name Phthalic acid, 5-bromo-2-methoxybenzyl propyl ester
Comments Computed using HOSE algorithm
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Exact Mass 406.041586707 u
Formula C19H19BrO5
InChI InChI=1S/C19H19BrO5/c1-3-10-24-18(21)15-6-4-5-7-16(15)19(22)25-12-13-11-14(20)8-9-17(13)23-2/h4-9,11H,3,10,12H2,1-2H3
InChIKey ALZIFKWDHZADDD-UHFFFAOYSA-N
Molecular Weight 407.260 g/mol
SMILES C1=CC(=C(C=C1)C(=O)OCC1=CC(=CC=C1OC)Br)C(=O)OCCC