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

View entire compound with spectra: 1 NMR

Phthalic acid, 1-(3-bromophenyl)ethyl octyl ester
SpectraBase Compound ID D5d7YrsZWp6
InChI InChI=1S/C24H29BrO4/c1-3-4-5-6-7-10-16-28-23(26)21-14-8-9-15-22(21)24(27)29-18(2)19-12-11-13-20(25)17-19/h8-9,11-15,17-18H,3-7,10,16H2,1-2H3
InChIKey DBVIEEOYCJLNRV-UHFFFAOYSA-N
Mol Weight 461.4 g/mol
Molecular Formula C24H29BrO4
Exact Mass 460.124922 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KxA9s263Xqy
Name Phthalic acid, 1-(3-bromophenyl)ethyl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 460.124922410 u
Formula C24H29BrO4
InChI InChI=1S/C24H29BrO4/c1-3-4-5-6-7-10-16-28-23(26)21-14-8-9-15-22(21)24(27)29-18(2)19-12-11-13-20(25)17-19/h8-9,11-15,17-18H,3-7,10,16H2,1-2H3
InChIKey DBVIEEOYCJLNRV-UHFFFAOYSA-N
Molecular Weight 461.396 g/mol
SMILES C(C1=CC=CC=C1C(OC(C=1C=C(C=CC1)Br)C)=O)(OCCCCCCCC)=O