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

View entire compound with spectra: 1 NMR

Glutaric acid, 5-bromo-2-methoxybenzyl nonyl ester
SpectraBase Compound ID GlBn4glZmJT
InChI InChI=1S/C22H33BrO5/c1-3-4-5-6-7-8-9-15-27-21(24)11-10-12-22(25)28-17-18-16-19(23)13-14-20(18)26-2/h13-14,16H,3-12,15,17H2,1-2H3
InChIKey RQQBSULPDSKECZ-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 J4ImbueDLAG
Name Glutaric acid, 5-bromo-2-methoxybenzyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 456.151137158 u
Formula C22H33BrO5
InChI InChI=1S/C22H33BrO5/c1-3-4-5-6-7-8-9-15-27-21(24)11-10-12-22(25)28-17-18-16-19(23)13-14-20(18)26-2/h13-14,16H,3-12,15,17H2,1-2H3
InChIKey RQQBSULPDSKECZ-UHFFFAOYSA-N
Molecular Weight 457.405 g/mol
SMILES C(OCC=1C=C(C=CC1OC)Br)(=O)CCCC(OCCCCCCCCC)=O