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Phthalic acid, 2-ethylbutyl pentadecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2-ethylbutyl pentadecyl ester
SpectraBase Compound ID 5aRAxdYj6dj
InChI InChI=1S/C29H48O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-20-23-32-28(30)26-21-18-19-22-27(26)29(31)33-24-25(5-2)6-3/h18-19,21-22,25H,4-17,20,23-24H2,1-3H3
InChIKey GXZZQBAHIGIZRF-UHFFFAOYSA-N
Mol Weight 460.7 g/mol
Molecular Formula C29H48O4
Exact Mass 460.35526 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9gfRNenwhCu
Name Phthalic acid, 2-ethylbutyl pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 460.355260022 u
Formula C29H48O4
InChI InChI=1S/C29H48O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-20-23-32-28(30)26-21-18-19-22-27(26)29(31)33-24-25(5-2)6-3/h18-19,21-22,25H,4-17,20,23-24H2,1-3H3
InChIKey GXZZQBAHIGIZRF-UHFFFAOYSA-N
Molecular Weight 460.699 g/mol
SMILES C1=CC=CC(=C1C(=O)OCCCCCCCCCCCCCCC)C(OCC(CC)CC)=O