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Sebacic acid, butyl 2,4-dichloronaphth-1-yl ester

View entire compound with spectra: 1 NMR

Sebacic acid, butyl 2,4-dichloronaphth-1-yl ester
SpectraBase Compound ID IpvJpzEKP20
InChI InChI=1S/C24H30Cl2O4/c1-2-3-16-29-22(27)14-8-6-4-5-7-9-15-23(28)30-24-19-13-11-10-12-18(19)20(25)17-21(24)26/h10-13,17H,2-9,14-16H2,1H3
InChIKey SBFOIQJJWGPMFT-UHFFFAOYSA-N
Mol Weight 453.41 g/mol
Molecular Formula C24H30Cl2O4
Exact Mass 452.152115 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JREJhqEP9K8
Name Sebacic acid, butyl 2,4-dichloronaphth-1-yl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 452.152114842 u
Formula C24H30Cl2O4
InChI InChI=1S/C24H30Cl2O4/c1-2-3-16-29-22(27)14-8-6-4-5-7-9-15-23(28)30-24-19-13-11-10-12-18(19)20(25)17-21(24)26/h10-13,17H,2-9,14-16H2,1H3
InChIKey SBFOIQJJWGPMFT-UHFFFAOYSA-N
Molecular Weight 453.406 g/mol
SMILES C(CCCCC(OC1=C(C=C(C2=C1C=CC=C2)Cl)Cl)=O)CCCC(OCCCC)=O