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Pentachlorophenol
SpectraBase Compound ID yON0KGZC0T
InChI InChI=1S/C6HCl5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H
InChIKey IZUPBVBPLAPZRR-UHFFFAOYSA-N
Mol Weight 266.3 g/mol
Molecular Formula C6HCl5O
Exact Mass 263.847003 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Eo0By3L6Gdc
Name Phenol, pentachloro-
CAS Registry Number 87-86-5
Comments broad-band decoupling (BB)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C6HCl5O
InChI InChI=1S/C6HCl5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H
InChIKey IZUPBVBPLAPZRR-UHFFFAOYSA-N
Instrument Name SF = 080 MHz
Literature Reference J. Org. Chem. 46, 4800 (1981).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6