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Glutaric acid, 2-bromobenzyl tridecyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 2-bromobenzyl tridecyl ester
SpectraBase Compound ID BbCeuUMK3xg
InChI InChI=1S/C25H39BrO4/c1-2-3-4-5-6-7-8-9-10-11-14-20-29-24(27)18-15-19-25(28)30-21-22-16-12-13-17-23(22)26/h12-13,16-17H,2-11,14-15,18-21H2,1H3
InChIKey QMUUERLXKJOKAL-UHFFFAOYSA-N
Mol Weight 483.5 g/mol
Molecular Formula C25H39BrO4
Exact Mass 482.203173 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7Mf0A8wa4b7
Name Glutaric acid, 2-bromobenzyl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 482.203172732 u
Formula C25H39BrO4
InChI InChI=1S/C25H39BrO4/c1-2-3-4-5-6-7-8-9-10-11-14-20-29-24(27)18-15-19-25(28)30-21-22-16-12-13-17-23(22)26/h12-13,16-17H,2-11,14-15,18-21H2,1H3
InChIKey QMUUERLXKJOKAL-UHFFFAOYSA-N
Molecular Weight 483.487 g/mol
SMILES C(OCC1=C(C=CC=C1)Br)(=O)CCCC(OCCCCCCCCCCCCC)=O