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2-Pentachlorophenoxy-6-tert-butyl-P-benzoquinone
SpectraBase Compound ID EcG49TJp8Ql
InChI InChI=1S/C16H11Cl5O3/c1-16(2,3)7-4-6(22)5-8(14(7)23)24-15-12(20)10(18)9(17)11(19)13(15)21/h4-5H,1-3H3
InChIKey SFPXGSAYIARHEO-UHFFFAOYSA-N
Mol Weight 428.5 g/mol
Molecular Formula C16H11Cl5O3
Exact Mass 425.915083 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K4Y3tUpIR6U
Name 2-Pentachlorophenoxy-6-tert-butyl-P-benzoquinone
CAS Registry Number 37780-08-8
Comments reassigned
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Formula C16H11Cl5O3
InChI InChI=1S/C16H11Cl5O3/c1-16(2,3)7-4-6(22)5-8(14(7)23)24-15-12(20)10(18)9(17)11(19)13(15)21/h4-5H,1-3H3
InChIKey SFPXGSAYIARHEO-UHFFFAOYSA-N
Instrument Name Bruker HX-90
Literature Reference S. Berger, A. Rieker, Tetrahedron 28, 3123 (1972).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3