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Phthalic acid, 6-ethyloct-3-yl 3-methylphenyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 6-ethyloct-3-yl 3-methylphenyl ester
SpectraBase Compound ID 3MMuPhpLDiF
InChI InChI=1S/C25H32O4/c1-5-19(6-2)15-16-20(7-3)28-24(26)22-13-8-9-14-23(22)25(27)29-21-12-10-11-18(4)17-21/h8-14,17,19-20H,5-7,15-16H2,1-4H3
InChIKey RCWNNOLQAYFLPR-UHFFFAOYSA-N
Mol Weight 396.5 g/mol
Molecular Formula C25H32O4
Exact Mass 396.23006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8CIb9x6aV10
Name Phthalic acid, 6-ethyloct-3-yl 3-methylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 396.230059506 u
Formula C25H32O4
InChI InChI=1S/C25H32O4/c1-5-19(6-2)15-16-20(7-3)28-24(26)22-13-8-9-14-23(22)25(27)29-21-12-10-11-18(4)17-21/h8-14,17,19-20H,5-7,15-16H2,1-4H3
InChIKey RCWNNOLQAYFLPR-UHFFFAOYSA-N
Molecular Weight 396.527 g/mol
SMILES C1=C(C(=CC=C1)C(OC1=CC(C)=CC=C1)=O)C(OC(CCC(CC)CC)CC)=O