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Sebacic acid, decyl 2,3,6-trichlorophenyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, decyl 2,3,6-trichlorophenyl ester
SpectraBase Compound ID EaOea9y2aVc
InChI InChI=1S/C26H39Cl3O4/c1-2-3-4-5-6-9-12-15-20-32-23(30)16-13-10-7-8-11-14-17-24(31)33-26-22(28)19-18-21(27)25(26)29/h18-19H,2-17,20H2,1H3
InChIKey QMUDZOMYYAJFNV-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 8VacVPy8qeY
Name Sebacic acid, decyl 2,3,6-trichlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 520.191392832 u
Formula C26H39Cl3O4
InChI InChI=1S/C26H39Cl3O4/c1-2-3-4-5-6-9-12-15-20-32-23(30)16-13-10-7-8-11-14-17-24(31)33-26-22(28)19-18-21(27)25(26)29/h18-19H,2-17,20H2,1H3
InChIKey QMUDZOMYYAJFNV-UHFFFAOYSA-N
Molecular Weight 521.953 g/mol
SMILES C(CCCCCC(OC1=C(C(=CC=C1Cl)Cl)Cl)=O)CCC(OCCCCCCCCCC)=O