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4-Phenylsulfonylmethyl-benzonitrile

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4-Phenylsulfonylmethyl-benzonitrile
SpectraBase Compound ID IUAVBrLpqfX
InChI InChI=1S/C14H11NO2S/c15-10-12-6-8-13(9-7-12)11-18(16,17)14-4-2-1-3-5-14/h1-9H,11H2
InChIKey UPMZAGMDHJJWIX-UHFFFAOYSA-N
Mol Weight 257.31 g/mol
Molecular Formula C14H11NO2S
Exact Mass 257.05105 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 20bqqEa11cy
Name 4-Phenylsulfonylmethyl-benzonitrile
CAS Registry Number 51229-59-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C14H11NO2S
InChI InChI=1S/C14H11NO2S/c15-10-12-6-8-13(9-7-12)11-18(16,17)14-4-2-1-3-5-14/h1-9H,11H2
InChIKey UPMZAGMDHJJWIX-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