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4-OXO-4-(PHENYLSULFONYL)-PHENYLBUTYRONITRILE

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4-OXO-4-(PHENYLSULFONYL)-PHENYLBUTYRONITRILE
SpectraBase Compound ID HObDDI346Cp
InChI InChI=1S/C16H13NO3S/c17-12-11-15(13-7-3-1-4-8-13)16(18)21(19,20)14-9-5-2-6-10-14/h1-10,15H,11H2
InChIKey ZAOWDMNEXBPMON-UHFFFAOYSA-N
Mol Weight 299.34 g/mol
Molecular Formula C16H13NO3S
Exact Mass 299.061614 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D9ujzeGQuJb
Name 4-OXO-4-(PHENYLSULFONYL)-PHENYLBUTYRONITRILE
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H13NO3S
InChI InChI=1S/C16H13NO3S/c17-12-11-15(13-7-3-1-4-8-13)16(18)21(19,20)14-9-5-2-6-10-14/h1-10,15H,11H2
InChIKey ZAOWDMNEXBPMON-UHFFFAOYSA-N
Literature Reference Author A.K.SAIKIA,S.TSUBOI
Literature Reference Citation J.ORG.CHEM.,66,643(2001)
Literature Reference DOI 10.1021/jo000825r
Molecular Weight 299.344 g/mol
Solvent CDCl3
Source File Reference UWMS27576