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Sebacic acid, di(3-iodobenzyl) ester

View entire compound with spectra: 1 NMR

Sebacic acid, di(3-iodobenzyl) ester
SpectraBase Compound ID DPkivzY849l
InChI InChI=1S/C24H28I2O4/c25-21-11-7-9-19(15-21)17-29-23(27)13-5-3-1-2-4-6-14-24(28)30-18-20-10-8-12-22(26)16-20/h7-12,15-16H,1-6,13-14,17-18H2
InChIKey KUNACYHMENOTNQ-UHFFFAOYSA-N
Mol Weight 634.29 g/mol
Molecular Formula C24H28I2O4
Exact Mass 634.007699 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IbPOqJf6vCV
Name Sebacic acid, di(3-iodobenzyl) ester
Comments Computed using HOSE algorithm
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Exact Mass 634.007699378 u
Formula C24H28I2O4
InChI InChI=1S/C24H28I2O4/c25-21-11-7-9-19(15-21)17-29-23(27)13-5-3-1-2-4-6-14-24(28)30-18-20-10-8-12-22(26)16-20/h7-12,15-16H,1-6,13-14,17-18H2
InChIKey KUNACYHMENOTNQ-UHFFFAOYSA-N
Molecular Weight 634.293 g/mol
SMILES C(CCCCCCC(OCC1=CC(=CC=C1)I)=O)CC(OCC=1C=CC=C(I)C1)=O