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Propanoic acid, 3-chloro-, 4-hydroxy-3,5-dioctylphenyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Propanoic acid, 3-chloro-, 4-hydroxy-3,5-dioctylphenyl ester
SpectraBase Compound ID 7LDMkyj265Z
InChI InChI=1S/C25H41ClO3/c1-3-5-7-9-11-13-15-21-19-23(29-24(27)17-18-26)20-22(25(21)28)16-14-12-10-8-6-4-2/h19-20,28H,3-18H2,1-2H3
InChIKey SWRNOFAAALWEIT-UHFFFAOYSA-N
Mol Weight 425.1 g/mol
Molecular Formula C25H41ClO3
Exact Mass 424.274423 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Grq6sp8b3oI
Name Propanoic acid, 3-chloro-, 4-hydroxy-3,5-dioctylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 424.274422877 u
Formula C25H41ClO3
InChI InChI=1S/C25H41ClO3/c1-3-5-7-9-11-13-15-21-19-23(29-24(27)17-18-26)20-22(25(21)28)16-14-12-10-8-6-4-2/h19-20,28H,3-18H2,1-2H3
InChIKey SWRNOFAAALWEIT-UHFFFAOYSA-N
Molecular Weight 425.053 g/mol
SMILES CCCCCCCCC1=CC(OC(=O)CCCl)=CC(=C1O)CCCCCCCC