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Phthalic acid, 3-methylbenzyl dodecyl ester

View entire compound with spectra: 1 NMR

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