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Sebacic acid, 2,4-dichlorophenyl heptyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 2,4-dichlorophenyl heptyl ester
SpectraBase Compound ID 2sRrt5170q6
InChI InChI=1S/C23H34Cl2O4/c1-2-3-4-9-12-17-28-22(26)13-10-7-5-6-8-11-14-23(27)29-21-16-15-19(24)18-20(21)25/h15-16,18H,2-14,17H2,1H3
InChIKey HAKOKIOBTCPQAR-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 6LlQJWodCRQ
Name Sebacic acid, 2,4-dichlorophenyl heptyl 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/c1-2-3-4-9-12-17-28-22(26)13-10-7-5-6-8-11-14-23(27)29-21-16-15-19(24)18-20(21)25/h15-16,18H,2-14,17H2,1H3
InChIKey HAKOKIOBTCPQAR-UHFFFAOYSA-N
Molecular Weight 445.427 g/mol
SMILES C(CCCCCCC(OC1=CC=C(C=C1Cl)Cl)=O)CC(OCCCCCCC)=O