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Phthalic acid, 2-(4-bromophenyl)ethyl hexyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2-(4-bromophenyl)ethyl hexyl ester
SpectraBase Compound ID sNzmN02B30
InChI InChI=1S/C22H25BrO4/c1-2-3-4-7-15-26-21(24)19-8-5-6-9-20(19)22(25)27-16-14-17-10-12-18(23)13-11-17/h5-6,8-13H,2-4,7,14-16H2,1H3
InChIKey VBIRMDKZRJICLP-UHFFFAOYSA-N
Mol Weight 433.34 g/mol
Molecular Formula C22H25BrO4
Exact Mass 432.093622 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AZogJLnfol6
Name Phthalic acid, 2-(4-bromophenyl)ethyl hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 432.093622281 u
Formula C22H25BrO4
InChI InChI=1S/C22H25BrO4/c1-2-3-4-7-15-26-21(24)19-8-5-6-9-20(19)22(25)27-16-14-17-10-12-18(23)13-11-17/h5-6,8-13H,2-4,7,14-16H2,1H3
InChIKey VBIRMDKZRJICLP-UHFFFAOYSA-N
Molecular Weight 433.342 g/mol
SMILES C(C1=CC=CC=C1C(OCCC1=CC=C(C=C1)Br)=O)(OCCCCCC)=O