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Phthalic acid, dodecyl 2-methylbenzyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, dodecyl 2-methylbenzyl ester
SpectraBase Compound ID 80ylUHfH9TD
InChI InChI=1S/C28H38O4/c1-3-4-5-6-7-8-9-10-11-16-21-31-27(29)25-19-14-15-20-26(25)28(30)32-22-24-18-13-12-17-23(24)2/h12-15,17-20H,3-11,16,21-22H2,1-2H3
InChIKey FUATYEYDROKRPH-UHFFFAOYSA-N
Mol Weight 438.6 g/mol
Molecular Formula C28H38O4
Exact Mass 438.27701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EooxVHRaXGF
Name Phthalic acid, dodecyl 2-methylbenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 438.277009700 u
Formula C28H38O4
InChI InChI=1S/C28H38O4/c1-3-4-5-6-7-8-9-10-11-16-21-31-27(29)25-19-14-15-20-26(25)28(30)32-22-24-18-13-12-17-23(24)2/h12-15,17-20H,3-11,16,21-22H2,1-2H3
InChIKey FUATYEYDROKRPH-UHFFFAOYSA-N
Molecular Weight 438.608 g/mol
SMILES C1=CC(=C(C=C1)C(=O)OCC1=CC=CC=C1C)C(=O)OCCCCCCCCCCCC