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Succinic acid, 2-iodobenzyl hexadecyl ester

View entire compound with spectra: 1 NMR

Succinic acid, 2-iodobenzyl hexadecyl ester
SpectraBase Compound ID 5VjKDbKqURg
InChI InChI=1S/C27H43IO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-22-31-26(29)20-21-27(30)32-23-24-18-15-16-19-25(24)28/h15-16,18-19H,2-14,17,20-23H2,1H3
InChIKey YAIJJUYDHUZESW-UHFFFAOYSA-N
Mol Weight 558.5 g/mol
Molecular Formula C27H43IO4
Exact Mass 558.220605 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1YPbEd5jMmX
Name Succinic acid, 2-iodobenzyl hexadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 558.220604861 u
Formula C27H43IO4
InChI InChI=1S/C27H43IO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-22-31-26(29)20-21-27(30)32-23-24-18-15-16-19-25(24)28/h15-16,18-19H,2-14,17,20-23H2,1H3
InChIKey YAIJJUYDHUZESW-UHFFFAOYSA-N
Molecular Weight 558.541 g/mol
SMILES C(CCC(OCC=1C(I)=CC=CC1)=O)(OCCCCCCCCCCCCCCCC)=O