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Phthalic acid, octyl 2-propylphenyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, octyl 2-propylphenyl ester
SpectraBase Compound ID LCjOk9dRvC9
InChI InChI=1S/C25H32O4/c1-3-5-6-7-8-13-19-28-24(26)21-16-10-11-17-22(21)25(27)29-23-18-12-9-15-20(23)14-4-2/h9-12,15-18H,3-8,13-14,19H2,1-2H3
InChIKey DCRNDGWCYJNCII-UHFFFAOYSA-N
Mol Weight 396.5 g/mol
Molecular Formula C25H32O4
Exact Mass 396.23006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K0gmQPCdtBp
Name Phthalic acid, octyl 2-propylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 396.230059506 u
Formula C25H32O4
InChI InChI=1S/C25H32O4/c1-3-5-6-7-8-13-19-28-24(26)21-16-10-11-17-22(21)25(27)29-23-18-12-9-15-20(23)14-4-2/h9-12,15-18H,3-8,13-14,19H2,1-2H3
InChIKey DCRNDGWCYJNCII-UHFFFAOYSA-N
Molecular Weight 396.527 g/mol
SMILES C1(=CC=CC=C1C(OCCCCCCCC)=O)C(OC=1C(CCC)=CC=CC1)=O