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Phthalic acid, 2-(4-bromophenoxy)ethyl octyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2-(4-bromophenoxy)ethyl octyl ester
SpectraBase Compound ID KBXA8jHokMd
InChI InChI=1S/C24H29BrO5/c1-2-3-4-5-6-9-16-29-23(26)21-10-7-8-11-22(21)24(27)30-18-17-28-20-14-12-19(25)13-15-20/h7-8,10-15H,2-6,9,16-18H2,1H3
InChIKey YPLVDBAOUYHZPC-UHFFFAOYSA-N
Mol Weight 477.4 g/mol
Molecular Formula C24H29BrO5
Exact Mass 476.119837 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CpmO0kfV154
Name Phthalic acid, 2-(4-bromophenoxy)ethyl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 476.119837029 u
Formula C24H29BrO5
InChI InChI=1S/C24H29BrO5/c1-2-3-4-5-6-9-16-29-23(26)21-10-7-8-11-22(21)24(27)30-18-17-28-20-14-12-19(25)13-15-20/h7-8,10-15H,2-6,9,16-18H2,1H3
InChIKey YPLVDBAOUYHZPC-UHFFFAOYSA-N
Molecular Weight 477.395 g/mol
SMILES C1=CC(=C(C=C1)C(=O)OCCOC1=CC=C(C=C1)Br)C(=O)OCCCCCCCC