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Succinic acid, 2-iodobenzyl pentadecyl ester

View entire compound with spectra: 1 NMR

Succinic acid, 2-iodobenzyl pentadecyl ester
SpectraBase Compound ID 9LBNux3mvaN
InChI InChI=1S/C26H41IO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21-30-25(28)19-20-26(29)31-22-23-17-14-15-18-24(23)27/h14-15,17-18H,2-13,16,19-22H2,1H3
InChIKey XUOJPDDFQWIFJZ-UHFFFAOYSA-N
Mol Weight 544.5 g/mol
Molecular Formula C26H41IO4
Exact Mass 544.204955 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ItSxHw5DVTt
Name Succinic acid, 2-iodobenzyl pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 544.204954796 u
Formula C26H41IO4
InChI InChI=1S/C26H41IO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21-30-25(28)19-20-26(29)31-22-23-17-14-15-18-24(23)27/h14-15,17-18H,2-13,16,19-22H2,1H3
InChIKey XUOJPDDFQWIFJZ-UHFFFAOYSA-N
Molecular Weight 544.514 g/mol
SMILES C(CCC(OCC=1C(I)=CC=CC1)=O)(OCCCCCCCCCCCCCCC)=O