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Phthalic acid, 6-ethyloct-3-yl 4-methoxyphenyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 6-ethyloct-3-yl 4-methoxyphenyl ester
SpectraBase Compound ID Dao5rMFtEDv
InChI InChI=1S/C25H32O5/c1-5-18(6-2)12-13-19(7-3)29-24(26)22-10-8-9-11-23(22)25(27)30-21-16-14-20(28-4)15-17-21/h8-11,14-19H,5-7,12-13H2,1-4H3
InChIKey FBTBNKQNQODFGD-UHFFFAOYSA-N
Mol Weight 412.5 g/mol
Molecular Formula C25H32O5
Exact Mass 412.224974 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AFxh3MQMPC3
Name Phthalic acid, 6-ethyloct-3-yl 4-methoxyphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 412.224974125 u
Formula C25H32O5
InChI InChI=1S/C25H32O5/c1-5-18(6-2)12-13-19(7-3)29-24(26)22-10-8-9-11-23(22)25(27)30-21-16-14-20(28-4)15-17-21/h8-11,14-19H,5-7,12-13H2,1-4H3
InChIKey FBTBNKQNQODFGD-UHFFFAOYSA-N
Molecular Weight 412.526 g/mol
SMILES C1=C(C(=CC=C1)C(OC1=CC=C(OC)C=C1)=O)C(OC(CCC(CC)CC)CC)=O