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Sebacic acid, 3-chlorophenethyl nonyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 3-chlorophenethyl nonyl ester
SpectraBase Compound ID CvG464Xki31
InChI InChI=1S/C27H43ClO4/c1-2-3-4-5-8-11-14-21-31-26(29)18-12-9-6-7-10-13-19-27(30)32-22-20-24-16-15-17-25(28)23-24/h15-17,23H,2-14,18-22H2,1H3
InChIKey FIZRLTIZBNRNMN-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 KWiwy7BJ5n7
Name Sebacic acid, 3-chlorophenethyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 466.284987561 u
Formula C27H43ClO4
InChI InChI=1S/C27H43ClO4/c1-2-3-4-5-8-11-14-21-31-26(29)18-12-9-6-7-10-13-19-27(30)32-22-20-24-16-15-17-25(28)23-24/h15-17,23H,2-14,18-22H2,1H3
InChIKey FIZRLTIZBNRNMN-UHFFFAOYSA-N
Molecular Weight 467.090 g/mol
SMILES C(CCCCCCCC(OCCC1=CC(=CC=C1)Cl)=O)C(OCCCCCCCCC)=O