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Phthalic acid, 2-(2-bromophenyl)ethyl heptyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2-(2-bromophenyl)ethyl heptyl ester
SpectraBase Compound ID L7nOnwhNZOH
InChI InChI=1S/C23H27BrO4/c1-2-3-4-5-10-16-27-22(25)19-12-7-8-13-20(19)23(26)28-17-15-18-11-6-9-14-21(18)24/h6-9,11-14H,2-5,10,15-17H2,1H3
InChIKey ONWVOLKFNNLJNX-UHFFFAOYSA-N
Mol Weight 447.37 g/mol
Molecular Formula C23H27BrO4
Exact Mass 446.109272 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID emre0GqbcZ
Name Phthalic acid, 2-(2-bromophenyl)ethyl heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 446.109272345 u
Formula C23H27BrO4
InChI InChI=1S/C23H27BrO4/c1-2-3-4-5-10-16-27-22(25)19-12-7-8-13-20(19)23(26)28-17-15-18-11-6-9-14-21(18)24/h6-9,11-14H,2-5,10,15-17H2,1H3
InChIKey ONWVOLKFNNLJNX-UHFFFAOYSA-N
Molecular Weight 447.369 g/mol
SMILES C(C1=CC=CC=C1C(OCCC1=CC=CC=C1Br)=O)(OCCCCCCC)=O