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Sebacic acid, 2,4-dichlorophenethyl pentyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 2,4-dichlorophenethyl pentyl ester
SpectraBase Compound ID 4WBUgKk8j9O
InChI InChI=1S/C23H34Cl2O4/c1-2-3-10-16-28-22(26)11-8-6-4-5-7-9-12-23(27)29-17-15-19-13-14-20(24)18-21(19)25/h13-14,18H,2-12,15-17H2,1H3
InChIKey TXRWXYISUKHASH-UHFFFAOYSA-N
Mol Weight 445.4 g/mol
Molecular Formula C23H34Cl2O4
Exact Mass 444.183415 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3V22hcKKnro
Name Sebacic acid, 2,4-dichlorophenethyl pentyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 444.183414971 u
Formula C23H34Cl2O4
InChI InChI=1S/C23H34Cl2O4/c1-2-3-10-16-28-22(26)11-8-6-4-5-7-9-12-23(27)29-17-15-19-13-14-20(24)18-21(19)25/h13-14,18H,2-12,15-17H2,1H3
InChIKey TXRWXYISUKHASH-UHFFFAOYSA-N
Molecular Weight 445.427 g/mol
SMILES C(CCCCCCCC(OCCC1=C(C=C(C=C1)Cl)Cl)=O)C(OCCCCC)=O