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p-(octyloxy)benzoic acid, 2,4,5-trichlorophenyl ester
SpectraBase Compound ID 74Q01pUjs9O
InChI InChI=1S/C21H23Cl3O3/c1-2-3-4-5-6-7-12-26-16-10-8-15(9-11-16)21(25)27-20-14-18(23)17(22)13-19(20)24/h8-11,13-14H,2-7,12H2,1H3
InChIKey ILQVFGUXJOSAJH-UHFFFAOYSA-N
Mol Weight 429.77 g/mol
Molecular Formula C21H23Cl3O3
Exact Mass 428.071278 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AOKhFLfOS0u
Name p-(OCTYLOXY)BENZOIC ACID, 2,4,5-TRICHLOROPHENYL ESTER
Source of Sample Tokyo Kasei Kogyo Company, Ltd., Tokyo, Japan
CAS Registry Number 79404-93-6
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23Cl3O3
InChI InChI=1S/C21H23Cl3O3/c1-2-3-4-5-6-7-12-26-16-10-8-15(9-11-16)21(25)27-20-14-18(23)17(22)13-19(20)24/h8-11,13-14H,2-7,12H2,1H3
InChIKey ILQVFGUXJOSAJH-UHFFFAOYSA-N
Melting Point 56C
Molecular Weight 429.77
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms BENZOIC ACID, P-/OCTYLOXY/-, 2,4,5-TRICHLOROPHENYL ESTER