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Pimelic acid, decyl 3,4-dichlorophenyl ester

View entire compound with spectra: 1 NMR

Pimelic acid, decyl 3,4-dichlorophenyl ester
SpectraBase Compound ID 38ehDEvD77s
InChI InChI=1S/C23H34Cl2O4/c1-2-3-4-5-6-7-8-12-17-28-22(26)13-10-9-11-14-23(27)29-19-15-16-20(24)21(25)18-19/h15-16,18H,2-14,17H2,1H3
InChIKey BTDKRZPYLWWDOX-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 9iWf3kXXn17
Name Pimelic acid, decyl 3,4-dichlorophenyl 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/c1-2-3-4-5-6-7-8-12-17-28-22(26)13-10-9-11-14-23(27)29-19-15-16-20(24)21(25)18-19/h15-16,18H,2-14,17H2,1H3
InChIKey BTDKRZPYLWWDOX-UHFFFAOYSA-N
Molecular Weight 445.427 g/mol
SMILES C(OC1=CC(=C(C=C1)Cl)Cl)(=O)CCCCCC(OCCCCCCCCCC)=O