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Sebacic acid, 2,2-dichloroethyl pentadecyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 2,2-dichloroethyl pentadecyl ester
SpectraBase Compound ID 7Wh4ukno6Uw
InChI InChI=1S/C27H50Cl2O4/c1-2-3-4-5-6-7-8-9-10-11-14-17-20-23-32-26(30)21-18-15-12-13-16-19-22-27(31)33-24-25(28)29/h25H,2-24H2,1H3
InChIKey VAKDUWZYDMTKEF-UHFFFAOYSA-N
Mol Weight 509.6 g/mol
Molecular Formula C27H50Cl2O4
Exact Mass 508.308615 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LBrQXLCx8p0
Name Sebacic acid, 2,2-dichloroethyl pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 508.308615486 u
Formula C27H50Cl2O4
InChI InChI=1S/C27H50Cl2O4/c1-2-3-4-5-6-7-8-9-10-11-14-17-20-23-32-26(30)21-18-15-12-13-16-19-22-27(31)33-24-25(28)29/h25H,2-24H2,1H3
InChIKey VAKDUWZYDMTKEF-UHFFFAOYSA-N
Molecular Weight 509.599 g/mol
SMILES C(CCCCCCCCC(OCCCCCCCCCCCCCCC)=O)(OCC(Cl)Cl)=O