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

View entire compound with spectra: 1 NMR

Phthalic acid, 2-(4-bromophenoxy)ethyl hexyl ester
SpectraBase Compound ID 30c0QDJ87LW
InChI InChI=1S/C22H25BrO5/c1-2-3-4-7-14-27-21(24)19-8-5-6-9-20(19)22(25)28-16-15-26-18-12-10-17(23)11-13-18/h5-6,8-13H,2-4,7,14-16H2,1H3
InChIKey DBKWDKWQERSXNJ-UHFFFAOYSA-N
Mol Weight 449.34 g/mol
Molecular Formula C22H25BrO5
Exact Mass 448.088537 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1Fiagwv8Cx3
Name Phthalic acid, 2-(4-bromophenoxy)ethyl hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 448.088536900 u
Formula C22H25BrO5
InChI InChI=1S/C22H25BrO5/c1-2-3-4-7-14-27-21(24)19-8-5-6-9-20(19)22(25)28-16-15-26-18-12-10-17(23)11-13-18/h5-6,8-13H,2-4,7,14-16H2,1H3
InChIKey DBKWDKWQERSXNJ-UHFFFAOYSA-N
Molecular Weight 449.341 g/mol
SMILES C1=CC(=C(C=C1)C(=O)OCCOC1=CC=C(C=C1)Br)C(=O)OCCCCCC