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Phthalic acid, di(3-(2-methoxyethyl)heptyl) ester

View entire compound with spectra: 1 NMR

Phthalic acid, di(3-(2-methoxyethyl)heptyl) ester
SpectraBase Compound ID 2D4eOLKpY32
InChI InChI=1S/C28H46O6/c1-5-7-11-23(15-19-31-3)17-21-33-27(29)25-13-9-10-14-26(25)28(30)34-22-18-24(12-8-6-2)16-20-32-4/h9-10,13-14,23-24H,5-8,11-12,15-22H2,1-4H3
InChIKey RJXHIJXBZKZANP-UHFFFAOYSA-N
Mol Weight 478.7 g/mol
Molecular Formula C28H46O6
Exact Mass 478.329439 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bo6kyf4OpBg
Name Phthalic acid, di(3-(2-methoxyethyl)heptyl) ester
Comments Computed using HOSE algorithm
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Exact Mass 478.329439195 u
Formula C28H46O6
InChI InChI=1S/C28H46O6/c1-5-7-11-23(15-19-31-3)17-21-33-27(29)25-13-9-10-14-26(25)28(30)34-22-18-24(12-8-6-2)16-20-32-4/h9-10,13-14,23-24H,5-8,11-12,15-22H2,1-4H3
InChIKey RJXHIJXBZKZANP-UHFFFAOYSA-N
Molecular Weight 478.670 g/mol
SMILES C1(=C(C=CC=C1)C(OCCC(CCCC)CCOC)=O)C(OCCC(CCOC)CCCC)=O