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Phthalic acid, 2-(3-bromophenyl)ethyl tridecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2-(3-bromophenyl)ethyl tridecyl ester
SpectraBase Compound ID ERXucuPnO6U
InChI InChI=1S/C29H39BrO4/c1-2-3-4-5-6-7-8-9-10-11-14-21-33-28(31)26-18-12-13-19-27(26)29(32)34-22-20-24-16-15-17-25(30)23-24/h12-13,15-19,23H,2-11,14,20-22H2,1H3
InChIKey VBGACYVPYJTPCZ-UHFFFAOYSA-N
Mol Weight 531.5 g/mol
Molecular Formula C29H39BrO4
Exact Mass 530.203173 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EMNlAYzTMex
Name Phthalic acid, 2-(3-bromophenyl)ethyl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 530.203172732 u
Formula C29H39BrO4
InChI InChI=1S/C29H39BrO4/c1-2-3-4-5-6-7-8-9-10-11-14-21-33-28(31)26-18-12-13-19-27(26)29(32)34-22-20-24-16-15-17-25(30)23-24/h12-13,15-19,23H,2-11,14,20-22H2,1H3
InChIKey VBGACYVPYJTPCZ-UHFFFAOYSA-N
Molecular Weight 531.531 g/mol
SMILES C(C1=CC=CC=C1C(OCCC1=CC(=CC=C1)Br)=O)(OCCCCCCCCCCCCC)=O