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Phthalic acid, 2-methylbenzyl tetradecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2-methylbenzyl tetradecyl ester
SpectraBase Compound ID 3LHKqCyd5SE
InChI InChI=1S/C30H42O4/c1-3-4-5-6-7-8-9-10-11-12-13-18-23-33-29(31)27-21-16-17-22-28(27)30(32)34-24-26-20-15-14-19-25(26)2/h14-17,19-22H,3-13,18,23-24H2,1-2H3
InChIKey GVPHINDQOXDHEQ-UHFFFAOYSA-N
Mol Weight 466.7 g/mol
Molecular Formula C30H42O4
Exact Mass 466.30831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GzPwCdDeNh0
Name Phthalic acid, 2-methylbenzyl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 466.308309828 u
Formula C30H42O4
InChI InChI=1S/C30H42O4/c1-3-4-5-6-7-8-9-10-11-12-13-18-23-33-29(31)27-21-16-17-22-28(27)30(32)34-24-26-20-15-14-19-25(26)2/h14-17,19-22H,3-13,18,23-24H2,1-2H3
InChIKey GVPHINDQOXDHEQ-UHFFFAOYSA-N
Molecular Weight 466.662 g/mol
SMILES C1=CC(=C(C=C1)C(=O)OCC1=CC=CC=C1C)C(=O)OCCCCCCCCCCCCCC