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Phthalic acid, 1-(3-bromophenyl)ethyl heptyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 1-(3-bromophenyl)ethyl heptyl ester
SpectraBase Compound ID 9p3wzvBsvdP
InChI InChI=1S/C23H27BrO4/c1-3-4-5-6-9-15-27-22(25)20-13-7-8-14-21(20)23(26)28-17(2)18-11-10-12-19(24)16-18/h7-8,10-14,16-17H,3-6,9,15H2,1-2H3
InChIKey RQHABISRZFNPPJ-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 ItK4qgavWjV
Name Phthalic acid, 1-(3-bromophenyl)ethyl heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 446.109272345 u
Formula C23H27BrO4
InChI InChI=1S/C23H27BrO4/c1-3-4-5-6-9-15-27-22(25)20-13-7-8-14-21(20)23(26)28-17(2)18-11-10-12-19(24)16-18/h7-8,10-14,16-17H,3-6,9,15H2,1-2H3
InChIKey RQHABISRZFNPPJ-UHFFFAOYSA-N
Molecular Weight 447.369 g/mol
SMILES C(C1=CC=CC=C1C(OC(C=1C=C(C=CC1)Br)C)=O)(OCCCCCCC)=O