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Phthalic acid, 2-propylphenyl tetradecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2-propylphenyl tetradecyl ester
SpectraBase Compound ID 4kPTedSZBMo
InChI InChI=1S/C31H44O4/c1-3-5-6-7-8-9-10-11-12-13-14-19-25-34-30(32)27-22-16-17-23-28(27)31(33)35-29-24-18-15-21-26(29)20-4-2/h15-18,21-24H,3-14,19-20,25H2,1-2H3
InChIKey KMVCIOKOFUFQJU-UHFFFAOYSA-N
Mol Weight 480.7 g/mol
Molecular Formula C31H44O4
Exact Mass 480.32396 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I6m4oLLH2Xa
Name Phthalic acid, 2-propylphenyl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 480.323959893 u
Formula C31H44O4
InChI InChI=1S/C31H44O4/c1-3-5-6-7-8-9-10-11-12-13-14-19-25-34-30(32)27-22-16-17-23-28(27)31(33)35-29-24-18-15-21-26(29)20-4-2/h15-18,21-24H,3-14,19-20,25H2,1-2H3
InChIKey KMVCIOKOFUFQJU-UHFFFAOYSA-N
Molecular Weight 480.689 g/mol
SMILES C1(=CC=CC=C1C(OCCCCCCCCCCCCCC)=O)C(OC=1C(CCC)=CC=CC1)=O