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Phthalic acid, 2,6-dimethoxyphenyl hexyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2,6-dimethoxyphenyl hexyl ester
SpectraBase Compound ID Arp3058QSUW
InChI InChI=1S/C22H26O6/c1-4-5-6-9-15-27-21(23)16-11-7-8-12-17(16)22(24)28-20-18(25-2)13-10-14-19(20)26-3/h7-8,10-14H,4-6,9,15H2,1-3H3
InChIKey VTYQRGUHBGDLOP-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 45ZCkZRRNRi
Name Phthalic acid, 2,6-dimethoxyphenyl hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 386.172938551 u
Formula C22H26O6
InChI InChI=1S/C22H26O6/c1-4-5-6-9-15-27-21(23)16-11-7-8-12-17(16)22(24)28-20-18(25-2)13-10-14-19(20)26-3/h7-8,10-14H,4-6,9,15H2,1-3H3
InChIKey VTYQRGUHBGDLOP-UHFFFAOYSA-N
Molecular Weight 386.444 g/mol
SMILES CCCCCCOC(C1=C(C(OC2=C(C=CC=C2OC)OC)=O)C=CC=C1)=O