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Phthalic acid, 3-iodobenzyl undecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 3-iodobenzyl undecyl ester
SpectraBase Compound ID FnUqPnU2LHW
InChI InChI=1S/C26H33IO4/c1-2-3-4-5-6-7-8-9-12-18-30-25(28)23-16-10-11-17-24(23)26(29)31-20-21-14-13-15-22(27)19-21/h10-11,13-17,19H,2-9,12,18,20H2,1H3
InChIKey GHQCCDRHBZSQQB-UHFFFAOYSA-N
Mol Weight 536.5 g/mol
Molecular Formula C26H33IO4
Exact Mass 536.142355 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jr4e3NpTifK
Name Phthalic acid, 3-iodobenzyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 536.142354539 u
Formula C26H33IO4
InChI InChI=1S/C26H33IO4/c1-2-3-4-5-6-7-8-9-12-18-30-25(28)23-16-10-11-17-24(23)26(29)31-20-21-14-13-15-22(27)19-21/h10-11,13-17,19H,2-9,12,18,20H2,1H3
InChIKey GHQCCDRHBZSQQB-UHFFFAOYSA-N
Molecular Weight 536.450 g/mol
SMILES C(C1=CC=CC=C1C(OCC1=CC=CC(=C1)I)=O)(OCCCCCCCCCCC)=O