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Phthalic acid, 2,6-dimethoxyphenyl isohexyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2,6-dimethoxyphenyl isohexyl ester
SpectraBase Compound ID AsQgEAz8Hqk
InChI InChI=1S/C22H26O6/c1-15(2)9-8-14-27-21(23)16-10-5-6-11-17(16)22(24)28-20-18(25-3)12-7-13-19(20)26-4/h5-7,10-13,15H,8-9,14H2,1-4H3
InChIKey SGMVJCFJYJAPOR-UHFFFAOYSA-N
Mol Weight 386.44 g/mol
Molecular Formula C22H26O6
Exact Mass 386.172939 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 43yOaZo1TjY
Name Phthalic acid, 2,6-dimethoxyphenyl isohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 386.172938551 u
Formula C22H26O6
InChI InChI=1S/C22H26O6/c1-15(2)9-8-14-27-21(23)16-10-5-6-11-17(16)22(24)28-20-18(25-3)12-7-13-19(20)26-4/h5-7,10-13,15H,8-9,14H2,1-4H3
InChIKey SGMVJCFJYJAPOR-UHFFFAOYSA-N
Molecular Weight 386.444 g/mol
SMILES CC(C)CCCOC(C1=C(C(OC2=C(C=CC=C2OC)OC)=O)C=CC=C1)=O