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Sebacic acid, 2,2-dichloroethyl tetradecyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 2,2-dichloroethyl tetradecyl ester
SpectraBase Compound ID E89COCYy71A
InChI InChI=1S/C26H48Cl2O4/c1-2-3-4-5-6-7-8-9-10-13-16-19-22-31-25(29)20-17-14-11-12-15-18-21-26(30)32-23-24(27)28/h24H,2-23H2,1H3
InChIKey DHGHTMNOYLPULJ-UHFFFAOYSA-N
Mol Weight 495.6 g/mol
Molecular Formula C26H48Cl2O4
Exact Mass 494.292965 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K8u4mPJnP0o
Name Sebacic acid, 2,2-dichloroethyl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 494.292965422 u
Formula C26H48Cl2O4
InChI InChI=1S/C26H48Cl2O4/c1-2-3-4-5-6-7-8-9-10-13-16-19-22-31-25(29)20-17-14-11-12-15-18-21-26(30)32-23-24(27)28/h24H,2-23H2,1H3
InChIKey DHGHTMNOYLPULJ-UHFFFAOYSA-N
Molecular Weight 495.572 g/mol
SMILES C(CCCCCCCCC(OCCCCCCCCCCCCCC)=O)(OCC(Cl)Cl)=O