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Sebacic acid, hexyl 2,3,5,6-tetrachlorophenyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, hexyl 2,3,5,6-tetrachlorophenyl ester
SpectraBase Compound ID L0be9alevGc
InChI InChI=1S/C22H30Cl4O4/c1-2-3-4-11-14-29-18(27)12-9-7-5-6-8-10-13-19(28)30-22-20(25)16(23)15-17(24)21(22)26/h15H,2-14H2,1H3
InChIKey IRIJTHQPBYIEGU-UHFFFAOYSA-N
Mol Weight 500.3 g/mol
Molecular Formula C22H30Cl4O4
Exact Mass 498.08982 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Adqxg9Pxt8R
Name Sebacic acid, hexyl 2,3,5,6-tetrachlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 498.089820242 u
Formula C22H30Cl4O4
InChI InChI=1S/C22H30Cl4O4/c1-2-3-4-11-14-29-18(27)12-9-7-5-6-8-10-13-19(28)30-22-20(25)16(23)15-17(24)21(22)26/h15H,2-14H2,1H3
InChIKey IRIJTHQPBYIEGU-UHFFFAOYSA-N
Molecular Weight 500.290 g/mol
SMILES C(CCCCC(OC1=C(C(=CC(=C1Cl)Cl)Cl)Cl)=O)CCCC(OCCCCCC)=O