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Sebacic acid, 3-chlorophenyl tridecyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 3-chlorophenyl tridecyl ester
SpectraBase Compound ID 6CXA2ymZfAW
InChI InChI=1S/C29H47ClO4/c1-2-3-4-5-6-7-8-9-12-15-18-24-33-28(31)22-16-13-10-11-14-17-23-29(32)34-27-21-19-20-26(30)25-27/h19-21,25H,2-18,22-24H2,1H3
InChIKey PFOGNPUZVSTIMW-UHFFFAOYSA-N
Mol Weight 495.1 g/mol
Molecular Formula C29H47ClO4
Exact Mass 494.316288 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bs7av5pgYYT
Name Sebacic acid, 3-chlorophenyl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 494.316287689 u
Formula C29H47ClO4
InChI InChI=1S/C29H47ClO4/c1-2-3-4-5-6-7-8-9-12-15-18-24-33-28(31)22-16-13-10-11-14-17-23-29(32)34-27-21-19-20-26(30)25-27/h19-21,25H,2-18,22-24H2,1H3
InChIKey PFOGNPUZVSTIMW-UHFFFAOYSA-N
Molecular Weight 495.144 g/mol
SMILES C(CCCCCCCC(OC1=CC=CC(=C1)Cl)=O)C(OCCCCCCCCCCCCC)=O