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Ethyl 3-(3-chloro-2-methylpropyl)-2-hydroxy-5-(2-hydroxy-5-chlorobenzoyl)benzoate
SpectraBase Compound ID B8EaaxvcjOE
InChI InChI=1S/C20H20Cl2O5/c1-3-27-20(26)16-8-13(7-12(19(16)25)6-11(2)10-21)18(24)15-9-14(22)4-5-17(15)23/h4-5,7-9,11,23,25H,3,6,10H2,1-2H3
InChIKey QNNKLAWNRZZFRK-UHFFFAOYSA-N
Mol Weight 411.28 g/mol
Molecular Formula C20H20Cl2O5
Exact Mass 410.068779 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FxBxVqtqakq
Name Ethyl 3-(3-chloro-2-methylpropyl)-2-hydroxy-5-(2-hydroxy-5-chlorobenzoyl)benzoate
Alternate Name(s) Ethyl 5-(5-chloro-2-hydroxybenzoyl)-3-(3-chloro-2-methylpropyl)-2-hydroxybenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20Cl2O5
InChI InChI=1S/C20H20Cl2O5/c1-3-27-20(26)16-8-13(7-12(19(16)25)6-11(2)10-21)18(24)15-9-14(22)4-5-17(15)23/h4-5,7-9,11,23,25H,3,6,10H2,1-2H3
InChIKey QNNKLAWNRZZFRK-UHFFFAOYSA-N
Molecular Weight 411.281 g/mol
SMILES Oc1c(C(c2cc(c(c(c2)CC(CCl)C)O)C(=O)OCC)=O)cc(cc1)Cl
SPLASH splash10-0229-0392800000-8964ad4a1bb9991ad471
Source of Spectrum F-62-7681-10
Wiley ID 1640335