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Phthalic acid, 3,5-dimethylphenyl hexyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 3,5-dimethylphenyl hexyl ester
SpectraBase Compound ID 6Ru3Z2pXmlE
InChI InChI=1S/C22H26O4/c1-4-5-6-9-12-25-21(23)19-10-7-8-11-20(19)22(24)26-18-14-16(2)13-17(3)15-18/h7-8,10-11,13-15H,4-6,9,12H2,1-3H3
InChIKey NGWRZOZDZKOGLF-UHFFFAOYSA-N
Mol Weight 354.45 g/mol
Molecular Formula C22H26O4
Exact Mass 354.183109 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9qWztVsZHFo
Name Phthalic acid, 3,5-dimethylphenyl hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 354.183109313 u
Formula C22H26O4
InChI InChI=1S/C22H26O4/c1-4-5-6-9-12-25-21(23)19-10-7-8-11-20(19)22(24)26-18-14-16(2)13-17(3)15-18/h7-8,10-11,13-15H,4-6,9,12H2,1-3H3
InChIKey NGWRZOZDZKOGLF-UHFFFAOYSA-N
Molecular Weight 354.446 g/mol
SMILES C1(=CC(=CC(=C1)C)C)OC(C1=C(C(OCCCCCC)=O)C=CC=C1)=O