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Glutaric acid, 5-bromo-2-methoxybenzyl octyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 5-bromo-2-methoxybenzyl octyl ester
SpectraBase Compound ID G9Q3Et0SDqM
InChI InChI=1S/C21H31BrO5/c1-3-4-5-6-7-8-14-26-20(23)10-9-11-21(24)27-16-17-15-18(22)12-13-19(17)25-2/h12-13,15H,3-11,14,16H2,1-2H3
InChIKey SLNCBMPMXNEGID-UHFFFAOYSA-N
Mol Weight 443.38 g/mol
Molecular Formula C21H31BrO5
Exact Mass 442.135487 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5jSN2mtqJ3K
Name Glutaric acid, 5-bromo-2-methoxybenzyl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 442.135487093 u
Formula C21H31BrO5
InChI InChI=1S/C21H31BrO5/c1-3-4-5-6-7-8-14-26-20(23)10-9-11-21(24)27-16-17-15-18(22)12-13-19(17)25-2/h12-13,15H,3-11,14,16H2,1-2H3
InChIKey SLNCBMPMXNEGID-UHFFFAOYSA-N
Molecular Weight 443.378 g/mol
SMILES C(OCC=1C=C(C=CC1OC)Br)(=O)CCCC(OCCCCCCCC)=O