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Glutaric acid, 2-(4-bromophenoxy)ethyl nonyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 2-(4-bromophenoxy)ethyl nonyl ester
SpectraBase Compound ID 9SRtQARfwN6
InChI InChI=1S/C22H33BrO5/c1-2-3-4-5-6-7-8-16-27-21(24)10-9-11-22(25)28-18-17-26-20-14-12-19(23)13-15-20/h12-15H,2-11,16-18H2,1H3
InChIKey QCXVMGMLQVGCSL-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 4GRR00iyUIV
Name Glutaric acid, 2-(4-bromophenoxy)ethyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 456.151137158 u
Formula C22H33BrO5
InChI InChI=1S/C22H33BrO5/c1-2-3-4-5-6-7-8-16-27-21(24)10-9-11-22(25)28-18-17-26-20-14-12-19(23)13-15-20/h12-15H,2-11,16-18H2,1H3
InChIKey QCXVMGMLQVGCSL-UHFFFAOYSA-N
Molecular Weight 457.405 g/mol
SMILES C(OCCOC1=CC=C(C=C1)Br)(=O)CCCC(OCCCCCCCCC)=O