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

View entire compound with spectra: 1 NMR

Glutaric acid, 5-bromo-2-methoxybenzyl heptyl ester
SpectraBase Compound ID 9zFBMwDsu83
InChI InChI=1S/C20H29BrO5/c1-3-4-5-6-7-13-25-19(22)9-8-10-20(23)26-15-16-14-17(21)11-12-18(16)24-2/h11-12,14H,3-10,13,15H2,1-2H3
InChIKey BJJSXYOFLFEZNR-UHFFFAOYSA-N
Mol Weight 429.35 g/mol
Molecular Formula C20H29BrO5
Exact Mass 428.119837 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IsF4A9fTPeR
Name Glutaric acid, 5-bromo-2-methoxybenzyl heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 428.119837029 u
Formula C20H29BrO5
InChI InChI=1S/C20H29BrO5/c1-3-4-5-6-7-13-25-19(22)9-8-10-20(23)26-15-16-14-17(21)11-12-18(16)24-2/h11-12,14H,3-10,13,15H2,1-2H3
InChIKey BJJSXYOFLFEZNR-UHFFFAOYSA-N
Molecular Weight 429.351 g/mol
SMILES C(OCC=1C=C(C=CC1OC)Br)(=O)CCCC(OCCCCCCC)=O