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

View entire compound with spectra: 1 NMR

Phthalic acid, 5-bromo-2-methoxybenzyl undecyl ester
SpectraBase Compound ID 81e4k7eLeV6
InChI InChI=1S/C27H35BrO5/c1-3-4-5-6-7-8-9-10-13-18-32-26(29)23-14-11-12-15-24(23)27(30)33-20-21-19-22(28)16-17-25(21)31-2/h11-12,14-17,19H,3-10,13,18,20H2,1-2H3
InChIKey LMLMPDQXBKYDFR-UHFFFAOYSA-N
Mol Weight 519.5 g/mol
Molecular Formula C27H35BrO5
Exact Mass 518.166787 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 82aGl5ng0Ru
Name Phthalic acid, 5-bromo-2-methoxybenzyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 518.166787222 u
Formula C27H35BrO5
InChI InChI=1S/C27H35BrO5/c1-3-4-5-6-7-8-9-10-13-18-32-26(29)23-14-11-12-15-24(23)27(30)33-20-21-19-22(28)16-17-25(21)31-2/h11-12,14-17,19H,3-10,13,18,20H2,1-2H3
InChIKey LMLMPDQXBKYDFR-UHFFFAOYSA-N
Molecular Weight 519.476 g/mol
SMILES C1=CC(=C(C=C1)C(=O)OCC1=CC(=CC=C1OC)Br)C(=O)OCCCCCCCCCCC