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Phthalic acid, 2-(3-bromophenyl)ethyl dodecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2-(3-bromophenyl)ethyl dodecyl ester
SpectraBase Compound ID 3Ipb3wmmwIQ
InChI InChI=1S/C28H37BrO4/c1-2-3-4-5-6-7-8-9-10-13-20-32-27(30)25-17-11-12-18-26(25)28(31)33-21-19-23-15-14-16-24(29)22-23/h11-12,14-18,22H,2-10,13,19-21H2,1H3
InChIKey CREXTQDOYKVFSI-UHFFFAOYSA-N
Mol Weight 517.5 g/mol
Molecular Formula C28H37BrO4
Exact Mass 516.187523 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IuWLkizURfn
Name Phthalic acid, 2-(3-bromophenyl)ethyl dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 516.187522667 u
Formula C28H37BrO4
InChI InChI=1S/C28H37BrO4/c1-2-3-4-5-6-7-8-9-10-13-20-32-27(30)25-17-11-12-18-26(25)28(31)33-21-19-23-15-14-16-24(29)22-23/h11-12,14-18,22H,2-10,13,19-21H2,1H3
InChIKey CREXTQDOYKVFSI-UHFFFAOYSA-N
Molecular Weight 517.504 g/mol
SMILES C(C1=CC=CC=C1C(OCCC1=CC(=CC=C1)Br)=O)(OCCCCCCCCCCCC)=O