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Phthalic acid, 6-ethyloct-3-yl 2-ethylhexyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Phthalic acid, 6-ethyloct-3-yl 2-ethylhexyl ester
SpectraBase Compound ID 3s5bY8Vkptt
InChI InChI=1S/C26H42O4/c1-6-11-14-21(9-4)19-29-25(27)23-15-12-13-16-24(23)26(28)30-22(10-5)18-17-20(7-2)8-3/h12-13,15-16,20-22H,6-11,14,17-19H2,1-5H3
InChIKey RYIRRKVWFBLZCM-UHFFFAOYSA-N
Mol Weight 418.6 g/mol
Molecular Formula C26H42O4
Exact Mass 418.30831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EjSBVieW3Fa
Name Phthalic acid, 6-ethyloct-3-yl 2-ethylhexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 418.308309828 u
Formula C26H42O4
InChI InChI=1S/C26H42O4/c1-6-11-14-21(9-4)19-29-25(27)23-15-12-13-16-24(23)26(28)30-22(10-5)18-17-20(7-2)8-3/h12-13,15-16,20-22H,6-11,14,17-19H2,1-5H3
InChIKey RYIRRKVWFBLZCM-UHFFFAOYSA-N
Molecular Weight 418.618 g/mol
SMILES C1=C(C(=CC=C1)C(OCC(CC)CCCC)=O)C(OC(CCC(CC)CC)CC)=O