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Sebacic acid, decyl 3,4,5-trichlorophenyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, decyl 3,4,5-trichlorophenyl ester
SpectraBase Compound ID 9SQlt9tpJEw
InChI InChI=1S/C26H39Cl3O4/c1-2-3-4-5-6-9-12-15-18-32-24(30)16-13-10-7-8-11-14-17-25(31)33-21-19-22(27)26(29)23(28)20-21/h19-20H,2-18H2,1H3
InChIKey SYJYLGTUWNIBCT-UHFFFAOYSA-N
Mol Weight 522.0 g/mol
Molecular Formula C26H39Cl3O4
Exact Mass 520.191393 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FvZMnFo3kcs
Name Sebacic acid, decyl 3,4,5-trichlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 520.191392832 u
Formula C26H39Cl3O4
InChI InChI=1S/C26H39Cl3O4/c1-2-3-4-5-6-9-12-15-18-32-24(30)16-13-10-7-8-11-14-17-25(31)33-21-19-22(27)26(29)23(28)20-21/h19-20H,2-18H2,1H3
InChIKey SYJYLGTUWNIBCT-UHFFFAOYSA-N
Molecular Weight 521.953 g/mol
SMILES C(CCCCCC(OC1=CC(=C(C(=C1)Cl)Cl)Cl)=O)CCC(OCCCCCCCCCC)=O