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Phthalic acid, 6-ethyl-3-octyl pentyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Phthalic acid, 6-ethyl-3-octyl pentyl ester
SpectraBase Compound ID BcHWnJrkvMG
InChI InChI=1S/C23H36O4/c1-5-9-12-17-26-22(24)20-13-10-11-14-21(20)23(25)27-19(8-4)16-15-18(6-2)7-3/h10-11,13-14,18-19H,5-9,12,15-17H2,1-4H3
InChIKey MBMZNAKDSPWXMS-UHFFFAOYSA-N
Mol Weight 376.5 g/mol
Molecular Formula C23H36O4
Exact Mass 376.26136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8F6Hs5y4wRH
Name Phthalic acid, 6-ethyl-3-octyl pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 376.261359635 u
Formula C23H36O4
InChI InChI=1S/C23H36O4/c1-5-9-12-17-26-22(24)20-13-10-11-14-21(20)23(25)27-19(8-4)16-15-18(6-2)7-3/h10-11,13-14,18-19H,5-9,12,15-17H2,1-4H3
InChIKey MBMZNAKDSPWXMS-UHFFFAOYSA-N
Molecular Weight 376.537 g/mol
SMILES CCCCCOC(C1=CC=CC=C1C(OC(CC)CCC(CC)CC)=O)=O