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Glutaric acid, 2-iodobenzyl undecyl ester
SpectraBase Compound ID LN69cffeLxt
InChI InChI=1S/C23H35IO4/c1-2-3-4-5-6-7-8-9-12-18-27-22(25)16-13-17-23(26)28-19-20-14-10-11-15-21(20)24/h10-11,14-15H,2-9,12-13,16-19H2,1H3
InChIKey VBGRONRJCWEXLC-UHFFFAOYSA-N
Mol Weight 502.4 g/mol
Molecular Formula C23H35IO4
Exact Mass 502.158005 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dzu1hQrZBHx
Name Glutaric acid, 2-iodobenzyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 502.158004603 u
Formula C23H35IO4
InChI InChI=1S/C23H35IO4/c1-2-3-4-5-6-7-8-9-12-18-27-22(25)16-13-17-23(26)28-19-20-14-10-11-15-21(20)24/h10-11,14-15H,2-9,12-13,16-19H2,1H3
InChIKey VBGRONRJCWEXLC-UHFFFAOYSA-N
Molecular Weight 502.433 g/mol
SMILES C(OCC1=C(C=CC=C1)I)(=O)CCCC(OCCCCCCCCCCC)=O