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Glutaric acid, 2-bromobenzyl tetradecyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 2-bromobenzyl tetradecyl ester
SpectraBase Compound ID GAFn8jdpDoy
InChI InChI=1S/C26H41BrO4/c1-2-3-4-5-6-7-8-9-10-11-12-15-21-30-25(28)19-16-20-26(29)31-22-23-17-13-14-18-24(23)27/h13-14,17-18H,2-12,15-16,19-22H2,1H3
InChIKey ZSRAECVKZZPJGX-UHFFFAOYSA-N
Mol Weight 497.5 g/mol
Molecular Formula C26H41BrO4
Exact Mass 496.218823 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LizUiPDImvJ
Name Glutaric acid, 2-bromobenzyl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 496.218822796 u
Formula C26H41BrO4
InChI InChI=1S/C26H41BrO4/c1-2-3-4-5-6-7-8-9-10-11-12-15-21-30-25(28)19-16-20-26(29)31-22-23-17-13-14-18-24(23)27/h13-14,17-18H,2-12,15-16,19-22H2,1H3
InChIKey ZSRAECVKZZPJGX-UHFFFAOYSA-N
Molecular Weight 497.514 g/mol
SMILES C(OCC1=C(C=CC=C1)Br)(=O)CCCC(OCCCCCCCCCCCCCC)=O