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Sebacic acid, 3-chlorophenethyl undecyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 3-chlorophenethyl undecyl ester
SpectraBase Compound ID 5smUSe351c0
InChI InChI=1S/C29H47ClO4/c1-2-3-4-5-6-7-10-13-16-23-33-28(31)20-14-11-8-9-12-15-21-29(32)34-24-22-26-18-17-19-27(30)25-26/h17-19,25H,2-16,20-24H2,1H3
InChIKey HCHXPTZSZNVVIL-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 6cDN5RDzmBZ
Name Sebacic acid, 3-chlorophenethyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 494.316287689 u
Formula C29H47ClO4
InChI InChI=1S/C29H47ClO4/c1-2-3-4-5-6-7-10-13-16-23-33-28(31)20-14-11-8-9-12-15-21-29(32)34-24-22-26-18-17-19-27(30)25-26/h17-19,25H,2-16,20-24H2,1H3
InChIKey HCHXPTZSZNVVIL-UHFFFAOYSA-N
Molecular Weight 495.144 g/mol
SMILES C(CCCCCCCC(OCCC1=CC(=CC=C1)Cl)=O)C(OCCCCCCCCCCC)=O