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Octadecanoic acid, 2-(2,4,6-trichlorophenoxy)-, ethyl ester

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Octadecanoic acid, 2-(2,4,6-trichlorophenoxy)-, ethyl ester
SpectraBase Compound ID EQg429XtcfV
InChI InChI=1S/C26H41Cl3O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(26(30)31-4-2)32-25-22(28)19-21(27)20-23(25)29/h19-20,24H,3-18H2,1-2H3
InChIKey QSOKIANBILEGAB-UHFFFAOYSA-N
Mol Weight 508.0 g/mol
Molecular Formula C26H41Cl3O3
Exact Mass 506.212128 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8wYeZnIOEV5
Name Octadecanoic acid, 2-(2,4,6-trichlorophenoxy)-, ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 506.212128277 u
Formula C26H41Cl3O3
InChI InChI=1S/C26H41Cl3O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(26(30)31-4-2)32-25-22(28)19-21(27)20-23(25)29/h19-20,24H,3-18H2,1-2H3
InChIKey QSOKIANBILEGAB-UHFFFAOYSA-N
Molecular Weight 507.970 g/mol
SMILES CCCCCCCCCCCCCCCCC(OC1=C(Cl)C=C(C=C1Cl)Cl)C(=O)OCC