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Glutaric acid, dec-2-yl 4-bromo-2-methoxyphenyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, dec-2-yl 4-bromo-2-methoxyphenyl ester
SpectraBase Compound ID DhfDPwSJW3W
InChI InChI=1S/C22H33BrO5/c1-4-5-6-7-8-9-11-17(2)27-21(24)12-10-13-22(25)28-19-15-14-18(23)16-20(19)26-3/h14-17H,4-13H2,1-3H3
InChIKey WNMLUGRWOIXZDU-UHFFFAOYSA-N
Mol Weight 457.4 g/mol
Molecular Formula C22H33BrO5
Exact Mass 456.151137 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 90rAGzvLeO0
Name Glutaric acid, dec-2-yl 4-bromo-2-methoxyphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 456.151137158 u
Formula C22H33BrO5
InChI InChI=1S/C22H33BrO5/c1-4-5-6-7-8-9-11-17(2)27-21(24)12-10-13-22(25)28-19-15-14-18(23)16-20(19)26-3/h14-17H,4-13H2,1-3H3
InChIKey WNMLUGRWOIXZDU-UHFFFAOYSA-N
Molecular Weight 457.405 g/mol
SMILES C(CCC(OC(C)CCCCCCCC)=O)C(OC1=CC=C(C=C1OC)Br)=O