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Phthalic acid, propyl octadecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, propyl octadecyl ester
SpectraBase Compound ID 2aC98SFa7qx
InChI InChI=1S/C29H48O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-25-33-29(31)27-23-20-19-22-26(27)28(30)32-24-4-2/h19-20,22-23H,3-18,21,24-25H2,1-2H3
InChIKey KMFSBCOKQIMWON-UHFFFAOYSA-N
Mol Weight 460.7 g/mol
Molecular Formula C29H48O4
Exact Mass 460.35526 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C3GIIzOWTb5
Name Phthalic acid, propyl octadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 460.355260022 u
Formula C29H48O4
InChI InChI=1S/C29H48O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-25-33-29(31)27-23-20-19-22-26(27)28(30)32-24-4-2/h19-20,22-23H,3-18,21,24-25H2,1-2H3
InChIKey KMFSBCOKQIMWON-UHFFFAOYSA-N
Molecular Weight 460.699 g/mol
SMILES C1=C(C(=CC=C1)C(=O)OCCCCCCCCCCCCCCCCCC)C(=O)OCCC