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Sebacic acid, 4-chlorophenyl undecyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 4-chlorophenyl undecyl ester
SpectraBase Compound ID z8JZUsVVRk
InChI InChI=1S/C27H43ClO4/c1-2-3-4-5-6-7-10-13-16-23-31-26(29)17-14-11-8-9-12-15-18-27(30)32-25-21-19-24(28)20-22-25/h19-22H,2-18,23H2,1H3
InChIKey JWUWVYWSRARPDL-UHFFFAOYSA-N
Mol Weight 467.1 g/mol
Molecular Formula C27H43ClO4
Exact Mass 466.284988 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dywz4Z3PSzZ
Name Sebacic acid, 4-chlorophenyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 466.284987561 u
Formula C27H43ClO4
InChI InChI=1S/C27H43ClO4/c1-2-3-4-5-6-7-10-13-16-23-31-26(29)17-14-11-8-9-12-15-18-27(30)32-25-21-19-24(28)20-22-25/h19-22H,2-18,23H2,1H3
InChIKey JWUWVYWSRARPDL-UHFFFAOYSA-N
Molecular Weight 467.090 g/mol
SMILES C(CCCCCCCC(OC1=CC=C(C=C1)Cl)=O)C(OCCCCCCCCCCC)=O