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Glutaric acid, 1-(3-bromophenyl)ethyl nonyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 1-(3-bromophenyl)ethyl nonyl ester
SpectraBase Compound ID HCmsrYhD8uJ
InChI InChI=1S/C22H33BrO4/c1-3-4-5-6-7-8-9-16-26-21(24)14-11-15-22(25)27-18(2)19-12-10-13-20(23)17-19/h10,12-13,17-18H,3-9,11,14-16H2,1-2H3
InChIKey TVPFKELBDPJXKD-UHFFFAOYSA-N
Mol Weight 441.4 g/mol
Molecular Formula C22H33BrO4
Exact Mass 440.156223 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GVk0TIU64VP
Name Glutaric acid, 1-(3-bromophenyl)ethyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 440.156222539 u
Formula C22H33BrO4
InChI InChI=1S/C22H33BrO4/c1-3-4-5-6-7-8-9-16-26-21(24)14-11-15-22(25)27-18(2)19-12-10-13-20(23)17-19/h10,12-13,17-18H,3-9,11,14-16H2,1-2H3
InChIKey TVPFKELBDPJXKD-UHFFFAOYSA-N
Molecular Weight 441.406 g/mol
SMILES C(OC(C)C1=CC=CC(=C1)Br)(=O)CCCC(OCCCCCCCCC)=O