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Phthalic acid, dec-2-yl tetradecyl ester

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Phthalic acid, dec-2-yl tetradecyl ester
SpectraBase Compound ID 5VVk8WNRDrA
InChI InChI=1S/C32H54O4/c1-4-6-8-10-12-13-14-15-16-17-19-23-27-35-31(33)29-25-21-22-26-30(29)32(34)36-28(3)24-20-18-11-9-7-5-2/h21-22,25-26,28H,4-20,23-24,27H2,1-3H3
InChIKey CXBCVUSSEUIPJD-UHFFFAOYSA-N
Mol Weight 502.8 g/mol
Molecular Formula C32H54O4
Exact Mass 502.40221 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EVQRhzqFzd7
Name Phthalic acid, dec-2-yl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 502.402210215 u
Formula C32H54O4
InChI InChI=1S/C32H54O4/c1-4-6-8-10-12-13-14-15-16-17-19-23-27-35-31(33)29-25-21-22-26-30(29)32(34)36-28(3)24-20-18-11-9-7-5-2/h21-22,25-26,28H,4-20,23-24,27H2,1-3H3
InChIKey CXBCVUSSEUIPJD-UHFFFAOYSA-N
Molecular Weight 502.780 g/mol
SMILES C1=CC(=C(C=C1)C(OCCCCCCCCCCCCCC)=O)C(OC(C)CCCCCCCC)=O