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Sebacic acid, 2-(4-bromophenoxy)ethyl pentyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 2-(4-bromophenoxy)ethyl pentyl ester
SpectraBase Compound ID CdEpiebY7q4
InChI InChI=1S/C23H35BrO5/c1-2-3-10-17-28-22(25)11-8-6-4-5-7-9-12-23(26)29-19-18-27-21-15-13-20(24)14-16-21/h13-16H,2-12,17-19H2,1H3
InChIKey FVNMCTQSPCTVAL-UHFFFAOYSA-N
Mol Weight 471.4 g/mol
Molecular Formula C23H35BrO5
Exact Mass 470.166787 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9eXdW3mHjKL
Name Sebacic acid, 2-(4-bromophenoxy)ethyl pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 470.166787222 u
Formula C23H35BrO5
InChI InChI=1S/C23H35BrO5/c1-2-3-10-17-28-22(25)11-8-6-4-5-7-9-12-23(26)29-19-18-27-21-15-13-20(24)14-16-21/h13-16H,2-12,17-19H2,1H3
InChIKey FVNMCTQSPCTVAL-UHFFFAOYSA-N
Molecular Weight 471.432 g/mol
SMILES C(CCCCCCC(OCCCCC)=O)CC(OCCOC1=CC=C(C=C1)Br)=O