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Sebacic acid, 2-(2-chlorophenoxy)ethyl pentyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 2-(2-chlorophenoxy)ethyl pentyl ester
SpectraBase Compound ID 8ba2i3sC26k
InChI InChI=1S/C23H35ClO5/c1-2-3-12-17-28-22(25)15-8-6-4-5-7-9-16-23(26)29-19-18-27-21-14-11-10-13-20(21)24/h10-11,13-14H,2-9,12,15-19H2,1H3
InChIKey XCSAISTZYZVDSA-UHFFFAOYSA-N
Mol Weight 427.0 g/mol
Molecular Formula C23H35ClO5
Exact Mass 426.217302 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6BSam9MYAk1
Name Sebacic acid, 2-(2-chlorophenoxy)ethyl pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 426.217301922 u
Formula C23H35ClO5
InChI InChI=1S/C23H35ClO5/c1-2-3-12-17-28-22(25)15-8-6-4-5-7-9-16-23(26)29-19-18-27-21-14-11-10-13-20(21)24/h10-11,13-14H,2-9,12,15-19H2,1H3
InChIKey XCSAISTZYZVDSA-UHFFFAOYSA-N
Molecular Weight 426.981 g/mol
SMILES C(CCCCCCCC(OCCOC1=C(C=CC=C1)Cl)=O)C(OCCCCC)=O