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Phthalic acid, ethyl octadecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, ethyl octadecyl ester
SpectraBase Compound ID BrxlPidYN5x
InChI InChI=1S/C28H46O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-32-28(30)26-23-20-19-22-25(26)27(29)31-4-2/h19-20,22-23H,3-18,21,24H2,1-2H3
InChIKey XVCDKNBLRWOWMC-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 BsInmteT8ij
Name Phthalic acid, ethyl octadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 446.339609957 u
Formula C28H46O4
InChI InChI=1S/C28H46O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-32-28(30)26-23-20-19-22-25(26)27(29)31-4-2/h19-20,22-23H,3-18,21,24H2,1-2H3
InChIKey XVCDKNBLRWOWMC-UHFFFAOYSA-N
Molecular Weight 446.672 g/mol
SMILES C1(=C(C=CC=C1)C(OCCCCCCCCCCCCCCCCCC)=O)C(OCC)=O