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Phthalic acid, 2-ethylbutyl tetradecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2-ethylbutyl tetradecyl ester
SpectraBase Compound ID 8Gz3Xtq9jkg
InChI InChI=1S/C28H46O4/c1-4-7-8-9-10-11-12-13-14-15-16-19-22-31-27(29)25-20-17-18-21-26(25)28(30)32-23-24(5-2)6-3/h17-18,20-21,24H,4-16,19,22-23H2,1-3H3
InChIKey WHJNKANAKIEAHO-UHFFFAOYSA-N
Mol Weight 446.7 g/mol
Molecular Formula C28H46O4
Exact Mass 446.33961 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DNLZyl4pgEt
Name Phthalic acid, 2-ethylbutyl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 446.339609957 u
Formula C28H46O4
InChI InChI=1S/C28H46O4/c1-4-7-8-9-10-11-12-13-14-15-16-19-22-31-27(29)25-20-17-18-21-26(25)28(30)32-23-24(5-2)6-3/h17-18,20-21,24H,4-16,19,22-23H2,1-3H3
InChIKey WHJNKANAKIEAHO-UHFFFAOYSA-N
Molecular Weight 446.672 g/mol
SMILES C1=CC=CC(=C1C(=O)OCCCCCCCCCCCCCC)C(OCC(CC)CC)=O