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Sebacic acid, di(3,5-dichlorophenyl) ester

View entire compound with spectra: 1 NMR

Sebacic acid, di(3,5-dichlorophenyl) ester
SpectraBase Compound ID ABVCf3HjSx0
InChI InChI=1S/C22H22Cl4O4/c23-15-9-16(24)12-19(11-15)29-21(27)7-5-3-1-2-4-6-8-22(28)30-20-13-17(25)10-18(26)14-20/h9-14H,1-8H2
InChIKey OJPITPAVMYFXRW-UHFFFAOYSA-N
Mol Weight 492.2 g/mol
Molecular Formula C22H22Cl4O4
Exact Mass 490.02722 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7w51tpIWaQZ
Name Sebacic acid, di(3,5-dichlorophenyl) ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 490.027219984 u
Formula C22H22Cl4O4
InChI InChI=1S/C22H22Cl4O4/c23-15-9-16(24)12-19(11-15)29-21(27)7-5-3-1-2-4-6-8-22(28)30-20-13-17(25)10-18(26)14-20/h9-14H,1-8H2
InChIKey OJPITPAVMYFXRW-UHFFFAOYSA-N
Molecular Weight 492.226 g/mol
SMILES C(CCCCC(OC1=CC(=CC(=C1)Cl)Cl)=O)CCCC(OC1=CC(=CC(=C1)Cl)Cl)=O