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Glutaric acid, 1-(3-bromophenyl)ethyl dodecyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 1-(3-bromophenyl)ethyl dodecyl ester
SpectraBase Compound ID 69mU8thFTJv
InChI InChI=1S/C25H39BrO4/c1-3-4-5-6-7-8-9-10-11-12-19-29-24(27)17-14-18-25(28)30-21(2)22-15-13-16-23(26)20-22/h13,15-16,20-21H,3-12,14,17-19H2,1-2H3
InChIKey NVKGDXJIWGUFOL-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 98nIiccZKrH
Name Glutaric acid, 1-(3-bromophenyl)ethyl dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 482.203172732 u
Formula C25H39BrO4
InChI InChI=1S/C25H39BrO4/c1-3-4-5-6-7-8-9-10-11-12-19-29-24(27)17-14-18-25(28)30-21(2)22-15-13-16-23(26)20-22/h13,15-16,20-21H,3-12,14,17-19H2,1-2H3
InChIKey NVKGDXJIWGUFOL-UHFFFAOYSA-N
Molecular Weight 483.487 g/mol
SMILES C(OC(C)C1=CC=CC(=C1)Br)(=O)CCCC(OCCCCCCCCCCCC)=O