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Glutaric acid, 2-(3-bromophenyl)ethyl tetradecyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 2-(3-bromophenyl)ethyl tetradecyl ester
SpectraBase Compound ID IX84aJnWt4z
InChI InChI=1S/C27H43BrO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-21-31-26(29)18-15-19-27(30)32-22-20-24-16-14-17-25(28)23-24/h14,16-17,23H,2-13,15,18-22H2,1H3
InChIKey QVFDHDLPSXCZGH-UHFFFAOYSA-N
Mol Weight 511.5 g/mol
Molecular Formula C27H43BrO4
Exact Mass 510.234473 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FzUh2SuGAot
Name Glutaric acid, 2-(3-bromophenyl)ethyl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 510.234472861 u
Formula C27H43BrO4
InChI InChI=1S/C27H43BrO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-21-31-26(29)18-15-19-27(30)32-22-20-24-16-14-17-25(28)23-24/h14,16-17,23H,2-13,15,18-22H2,1H3
InChIKey QVFDHDLPSXCZGH-UHFFFAOYSA-N
Molecular Weight 511.541 g/mol
SMILES C(OCCC1=CC=CC(=C1)Br)(=O)CCCC(OCCCCCCCCCCCCCC)=O