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

View entire compound with spectra: 1 NMR

Phthalic acid, 1-(3-bromophenyl)ethyl hexyl ester
SpectraBase Compound ID 9xUUuYvN9Aa
InChI InChI=1S/C22H25BrO4/c1-3-4-5-8-14-26-21(24)19-12-6-7-13-20(19)22(25)27-16(2)17-10-9-11-18(23)15-17/h6-7,9-13,15-16H,3-5,8,14H2,1-2H3
InChIKey OOKQQMYAHQWVHI-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 8ZasPhI3ItT
Name Phthalic acid, 1-(3-bromophenyl)ethyl hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 432.093622281 u
Formula C22H25BrO4
InChI InChI=1S/C22H25BrO4/c1-3-4-5-8-14-26-21(24)19-12-6-7-13-20(19)22(25)27-16(2)17-10-9-11-18(23)15-17/h6-7,9-13,15-16H,3-5,8,14H2,1-2H3
InChIKey OOKQQMYAHQWVHI-UHFFFAOYSA-N
Molecular Weight 433.342 g/mol
SMILES C(C1=CC=CC=C1C(OC(C=1C=C(C=CC1)Br)C)=O)(OCCCCCC)=O