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

View entire compound with spectra: 1 NMR

Sebacic acid, 2-(4-bromophenoxy)ethyl hexyl ester
SpectraBase Compound ID BiBCVoRDRk5
InChI InChI=1S/C24H37BrO5/c1-2-3-4-11-18-29-23(26)12-9-7-5-6-8-10-13-24(27)30-20-19-28-22-16-14-21(25)15-17-22/h14-17H,2-13,18-20H2,1H3
InChIKey ISWGODUQEDMNCX-UHFFFAOYSA-N
Mol Weight 485.5 g/mol
Molecular Formula C24H37BrO5
Exact Mass 484.182437 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EUrGEy6HPXT
Name Sebacic acid, 2-(4-bromophenoxy)ethyl hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 484.182437286 u
Formula C24H37BrO5
InChI InChI=1S/C24H37BrO5/c1-2-3-4-11-18-29-23(26)12-9-7-5-6-8-10-13-24(27)30-20-19-28-22-16-14-21(25)15-17-22/h14-17H,2-13,18-20H2,1H3
InChIKey ISWGODUQEDMNCX-UHFFFAOYSA-N
Molecular Weight 485.459 g/mol
SMILES C(CCCCCCC(OCCCCCC)=O)CC(OCCOC1=CC=C(C=C1)Br)=O