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Glutaric acid, dodecyl 3-iodobenzyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, dodecyl 3-iodobenzyl ester
SpectraBase Compound ID 4cNHdOgBgOF
InChI InChI=1S/C24H37IO4/c1-2-3-4-5-6-7-8-9-10-11-18-28-23(26)16-13-17-24(27)29-20-21-14-12-15-22(25)19-21/h12,14-15,19H,2-11,13,16-18,20H2,1H3
InChIKey YNSMIRGJGTZUOF-UHFFFAOYSA-N
Mol Weight 516.5 g/mol
Molecular Formula C24H37IO4
Exact Mass 516.173655 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AUauFfSxTnz
Name Glutaric acid, dodecyl 3-iodobenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 516.173654667 u
Formula C24H37IO4
InChI InChI=1S/C24H37IO4/c1-2-3-4-5-6-7-8-9-10-11-18-28-23(26)16-13-17-24(27)29-20-21-14-12-15-22(25)19-21/h12,14-15,19H,2-11,13,16-18,20H2,1H3
InChIKey YNSMIRGJGTZUOF-UHFFFAOYSA-N
Molecular Weight 516.460 g/mol
SMILES C(OCC1=CC=CC(=C1)I)(=O)CCCC(OCCCCCCCCCCCC)=O