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3-Cyanophenyl methyl sulfone

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3-Cyanophenyl methyl sulfone
SpectraBase Compound ID CWxc5Yef6oc
InChI InChI=1S/C8H7NO2S/c1-12(10,11)8-4-2-3-7(5-8)6-9/h2-5H,1H3
InChIKey VWPJXEYDYJQMBC-UHFFFAOYSA-N
Mol Weight 181.21 g/mol
Molecular Formula C8H7NO2S
Exact Mass 181.01975 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DzXW1BabIjd
Name 3-Cyanophenyl methyl sulfone
CAS Registry Number 22821-75-6
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H7NO2S
InChI InChI=1S/C8H7NO2S/c1-12(10,11)8-4-2-3-7(5-8)6-9/h2-5H,1H3
InChIKey VWPJXEYDYJQMBC-UHFFFAOYSA-N
Instrument Name Varian XL-200
Literature Reference O. Exner, M. Budesinsky, Magn. Res. Chem. 27, 27 (1989).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3