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Pentachloroanisole
SpectraBase Compound ID 7wfdiilPucF
InChI InChI=1S/C7H3Cl5O/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h1H3
InChIKey BBABSCYTNHOKOG-UHFFFAOYSA-N
Mol Weight 280.4 g/mol
Molecular Formula C7H3Cl5O
Exact Mass 277.862653 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DiNCzsPg99P
Name Pentachloroanisol
CAS Registry Number 1825-21-4
Comments broad-band decoupling (BB)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C7H3Cl5O
InChI InChI=1S/C7H3Cl5O/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h1H3
InChIKey BBABSCYTNHOKOG-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