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3-tert-butyl-4-hydroxy-5-(pentachlorophenoxy)benzoic acid, cyclohexyl ester
SpectraBase Compound ID 4VwgTkuKDaY
InChI InChI=1S/C23H23Cl5O4/c1-23(2,3)13-9-11(22(30)31-12-7-5-4-6-8-12)10-14(20(13)29)32-21-18(27)16(25)15(24)17(26)19(21)28/h9-10,12,29H,4-8H2,1-3H3
InChIKey LOIIVGAHZXIAGA-UHFFFAOYSA-N
Mol Weight 540.7 g/mol
Molecular Formula C23H23Cl5O4
Exact Mass 538.003898 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 91ttasIbZom
Name 3-tert-BUTYL-4-HYDROXY-5-(PENTACHLOROPHENOXY)BENZOIC ACID, CYCLOHEXYL ESTER
Source of Sample A. Rieker, University of Tuebingen, Tuebingen, Germany
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H23Cl5O4
InChI InChI=1S/C23H23Cl5O4/c1-23(2,3)13-9-11(22(30)31-12-7-5-4-6-8-12)10-14(20(13)29)32-21-18(27)16(25)15(24)17(26)19(21)28/h9-10,12,29H,4-8H2,1-3H3
InChIKey LOIIVGAHZXIAGA-UHFFFAOYSA-N
Melting Point 169-170C
Molecular Weight 540.682983
Synonyms BENZOIC ACID, 3-TERT-BUTYL-4- HYDROXY-5-/PENTACHLOROPHENOXY/-, CYCLO- HEXYL ESTER
Technique KBr WAFER