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Phthalic acid, 4-bromophenyl 2-ethylhexyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 4-bromophenyl 2-ethylhexyl ester
SpectraBase Compound ID Im4f31SKH2z
InChI InChI=1S/C22H25BrO4/c1-3-5-8-16(4-2)15-26-21(24)19-9-6-7-10-20(19)22(25)27-18-13-11-17(23)12-14-18/h6-7,9-14,16H,3-5,8,15H2,1-2H3
InChIKey BHKVMABVORLDCW-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 Keszd6luHDi
Name Phthalic acid, 4-bromophenyl 2-ethylhexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 432.093622281 u
Formula C22H25BrO4
InChI InChI=1S/C22H25BrO4/c1-3-5-8-16(4-2)15-26-21(24)19-9-6-7-10-20(19)22(25)27-18-13-11-17(23)12-14-18/h6-7,9-14,16H,3-5,8,15H2,1-2H3
InChIKey BHKVMABVORLDCW-UHFFFAOYSA-N
Molecular Weight 433.342 g/mol
SMILES C1=C(C(=CC=C1)C(OCC(CC)CCCC)=O)C(OC1=CC=C(C=C1)Br)=O