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Phthalic acid, 2-propylphenyl tridecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2-propylphenyl tridecyl ester
SpectraBase Compound ID BTCkPqIc0GP
InChI InChI=1S/C30H42O4/c1-3-5-6-7-8-9-10-11-12-13-18-24-33-29(31)26-21-15-16-22-27(26)30(32)34-28-23-17-14-20-25(28)19-4-2/h14-17,20-23H,3-13,18-19,24H2,1-2H3
InChIKey ZGRPZNDMANNUIT-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 Ga5GlpGcvrG
Name Phthalic acid, 2-propylphenyl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 466.308309828 u
Formula C30H42O4
InChI InChI=1S/C30H42O4/c1-3-5-6-7-8-9-10-11-12-13-18-24-33-29(31)26-21-15-16-22-27(26)30(32)34-28-23-17-14-20-25(28)19-4-2/h14-17,20-23H,3-13,18-19,24H2,1-2H3
InChIKey ZGRPZNDMANNUIT-UHFFFAOYSA-N
Molecular Weight 466.662 g/mol
SMILES C1(=CC=CC=C1C(OCCCCCCCCCCCCC)=O)C(OC=1C(CCC)=CC=CC1)=O