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Phthalic acid, 2-ethylhexyl tetradecyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Phthalic acid, 2-ethylhexyl tetradecyl ester
SpectraBase Compound ID YNsNRXo44e
InChI InChI=1S/C30H50O4/c1-4-7-9-10-11-12-13-14-15-16-17-20-24-33-29(31)27-22-18-19-23-28(27)30(32)34-25-26(6-3)21-8-5-2/h18-19,22-23,26H,4-17,20-21,24-25H2,1-3H3
InChIKey SDIFXLXMBCOWOQ-UHFFFAOYSA-N
Mol Weight 474.7 g/mol
Molecular Formula C30H50O4
Exact Mass 474.37091 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 38y7Tqanlcp
Name Phthalic acid, 2-ethylhexyl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 474.370910086 u
Formula C30H50O4
InChI InChI=1S/C30H50O4/c1-4-7-9-10-11-12-13-14-15-16-17-20-24-33-29(31)27-22-18-19-23-28(27)30(32)34-25-26(6-3)21-8-5-2/h18-19,22-23,26H,4-17,20-21,24-25H2,1-3H3
InChIKey SDIFXLXMBCOWOQ-UHFFFAOYSA-N
Molecular Weight 474.726 g/mol
SMILES C1=C(C(C(=O)OCCCCCCCCCCCCCC)=CC=C1)C(=O)OCC(CC)CCCC