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Sebacic acid, 2,4-dichlorophenethyl isobutyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 2,4-dichlorophenethyl isobutyl ester
SpectraBase Compound ID BJ2JpkV4Hkd
InChI InChI=1S/C22H32Cl2O4/c1-17(2)16-28-22(26)10-8-6-4-3-5-7-9-21(25)27-14-13-18-11-12-19(23)15-20(18)24/h11-12,15,17H,3-10,13-14,16H2,1-2H3
InChIKey DYLLJKZMAHQZRV-UHFFFAOYSA-N
Mol Weight 431.4 g/mol
Molecular Formula C22H32Cl2O4
Exact Mass 430.167765 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9UMOEIp32Z4
Name Sebacic acid, 2,4-dichlorophenethyl isobutyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 430.167764906 u
Formula C22H32Cl2O4
InChI InChI=1S/C22H32Cl2O4/c1-17(2)16-28-22(26)10-8-6-4-3-5-7-9-21(25)27-14-13-18-11-12-19(23)15-20(18)24/h11-12,15,17H,3-10,13-14,16H2,1-2H3
InChIKey DYLLJKZMAHQZRV-UHFFFAOYSA-N
Molecular Weight 431.400 g/mol
SMILES C(CCCCCCCC(OCCC1=C(C=C(C=C1)Cl)Cl)=O)C(OCC(C)C)=O