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2-Cyano-3,5,7-trimethyl-1-phenylsulfonyl-1H-azepin

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2-Cyano-3,5,7-trimethyl-1-phenylsulfonyl-1H-azepin
SpectraBase Compound ID LihpYhEIhtG
InChI InChI=1S/C16H16N2O2S/c1-12-9-13(2)16(11-17)18(14(3)10-12)21(19,20)15-7-5-4-6-8-15/h4-10H,1-3H3
InChIKey KVGFCLCLUJYELG-UHFFFAOYSA-N
Mol Weight 300.38 g/mol
Molecular Formula C16H16N2O2S
Exact Mass 300.093249 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4Y9WRfJWk4r
Name 2-Cyano-3,5,7-trimethyl-1-phenylsulfonyl-1H-azepin
CAS Registry Number 98586-25-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H16N2O2S
InChI InChI=1S/C16H16N2O2S/c1-12-9-13(2)16(11-17)18(14(3)10-12)21(19,20)15-7-5-4-6-8-15/h4-10H,1-3H3
InChIKey KVGFCLCLUJYELG-UHFFFAOYSA-N
Instrument Name Bruker WH-400
Literature Reference H. Perst, W. Massa, M. Lumm, Angew. Chem. 97, 859 (1985).
NMR Standard CDCl3
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3