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Phthalic acid, pentadecyl 2-propylphenyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, pentadecyl 2-propylphenyl ester
SpectraBase Compound ID KZ1pEGoxu9u
InChI InChI=1S/C32H46O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-20-26-35-31(33)28-23-17-18-24-29(28)32(34)36-30-25-19-16-22-27(30)21-4-2/h16-19,22-25H,3-15,20-21,26H2,1-2H3
InChIKey UFYCTYLAFMBFKP-UHFFFAOYSA-N
Mol Weight 494.7 g/mol
Molecular Formula C32H46O4
Exact Mass 494.33961 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Eg98cK5yWft
Name Phthalic acid, pentadecyl 2-propylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 494.339609957 u
Formula C32H46O4
InChI InChI=1S/C32H46O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-20-26-35-31(33)28-23-17-18-24-29(28)32(34)36-30-25-19-16-22-27(30)21-4-2/h16-19,22-25H,3-15,20-21,26H2,1-2H3
InChIKey UFYCTYLAFMBFKP-UHFFFAOYSA-N
Molecular Weight 494.716 g/mol
SMILES C1(=CC=CC=C1C(OCCCCCCCCCCCCCCC)=O)C(OC=1C(CCC)=CC=CC1)=O