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Sebacic acid, propyl 2,3,5,6-tetrachlorophenyl ester

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Sebacic acid, propyl 2,3,5,6-tetrachlorophenyl ester
SpectraBase Compound ID 7oQAVt70Qsr
InChI InChI=1S/C19H24Cl4O4/c1-2-11-26-15(24)9-7-5-3-4-6-8-10-16(25)27-19-17(22)13(20)12-14(21)18(19)23/h12H,2-11H2,1H3
InChIKey HDYCJEKDXWDDOK-UHFFFAOYSA-N
Mol Weight 458.2 g/mol
Molecular Formula C19H24Cl4O4
Exact Mass 456.04287 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JblekDw9yw4
Name Sebacic acid, propyl 2,3,5,6-tetrachlorophenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 456.042870049 u
Formula C19H24Cl4O4
InChI InChI=1S/C19H24Cl4O4/c1-2-11-26-15(24)9-7-5-3-4-6-8-10-16(25)27-19-17(22)13(20)12-14(21)18(19)23/h12H,2-11H2,1H3
InChIKey HDYCJEKDXWDDOK-UHFFFAOYSA-N
Molecular Weight 458.209 g/mol
SMILES C(CCCCC(OC1=C(C(=CC(=C1Cl)Cl)Cl)Cl)=O)CCCC(OCCC)=O