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

View entire compound with spectra: 1 NMR

Phthalic acid, 5-bromo-2-methoxybenzyl dodecyl ester
SpectraBase Compound ID Ka72IWUyjVZ
InChI InChI=1S/C28H37BrO5/c1-3-4-5-6-7-8-9-10-11-14-19-33-27(30)24-15-12-13-16-25(24)28(31)34-21-22-20-23(29)17-18-26(22)32-2/h12-13,15-18,20H,3-11,14,19,21H2,1-2H3
InChIKey POEKKWAXDORGRL-UHFFFAOYSA-N
Mol Weight 533.5 g/mol
Molecular Formula C28H37BrO5
Exact Mass 532.182437 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2upSNS96duh
Name Phthalic acid, 5-bromo-2-methoxybenzyl dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 532.182437286 u
Formula C28H37BrO5
InChI InChI=1S/C28H37BrO5/c1-3-4-5-6-7-8-9-10-11-14-19-33-27(30)24-15-12-13-16-25(24)28(31)34-21-22-20-23(29)17-18-26(22)32-2/h12-13,15-18,20H,3-11,14,19,21H2,1-2H3
InChIKey POEKKWAXDORGRL-UHFFFAOYSA-N
Molecular Weight 533.503 g/mol
SMILES C1=CC(=C(C=C1)C(=O)OCC1=CC(=CC=C1OC)Br)C(=O)OCCCCCCCCCCCC