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Phthalic acid, isohexyl octadecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, isohexyl octadecyl ester
SpectraBase Compound ID 8ctUxAsqW6h
InChI InChI=1S/C32H54O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-26-35-31(33)29-24-19-20-25-30(29)32(34)36-27-22-23-28(2)3/h19-20,24-25,28H,4-18,21-23,26-27H2,1-3H3
InChIKey NJFGDDWIYVNWPZ-UHFFFAOYSA-N
Mol Weight 502.8 g/mol
Molecular Formula C32H54O4
Exact Mass 502.40221 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9xmlCvLNkDO
Name Phthalic acid, isohexyl octadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 502.402210215 u
Formula C32H54O4
InChI InChI=1S/C32H54O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-26-35-31(33)29-24-19-20-25-30(29)32(34)36-27-22-23-28(2)3/h19-20,24-25,28H,4-18,21-23,26-27H2,1-3H3
InChIKey NJFGDDWIYVNWPZ-UHFFFAOYSA-N
Molecular Weight 502.780 g/mol
SMILES C1=C(C(=CC=C1)C(=O)OCCCCCCCCCCCCCCCCCC)C(=O)OCCCC(C)C