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4-BENZOYL-1-THIA-4-AZA-CYCLOHEX-2-ENE

View entire compound with spectra: 6 NMR

4-BENZOYL-1-THIA-4-AZA-CYCLOHEX-2-ENE
SpectraBase Compound ID 84lEfQg8MBu
InChI InChI=1S/C11H11NOS/c13-11(10-4-2-1-3-5-10)12-6-8-14-9-7-12/h1-6,8H,7,9H2
InChIKey KZHIOZSYPGDCKB-UHFFFAOYSA-N
Mol Weight 205.27 g/mol
Molecular Formula C11H11NOS
Exact Mass 205.056135 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID wFlRM6om1m
Name 4-BENZOYL-1-THIA-4-AZA-CYCLOHEX-2-ENE;(ROTAMER-1)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H11NOS
InChI InChI=1S/C11H11NOS/c13-11(10-4-2-1-3-5-10)12-6-8-14-9-7-12/h1-6,8H,7,9H2
InChIKey KZHIOZSYPGDCKB-UHFFFAOYSA-N
Literature Reference Author T.B.GRINDLEY,B.M.PINTO,W.A.SZAREK
Literature Reference Citation CAN.J.CHEM.,55,949(1977)
Literature Reference DOI 10.1139/v77-133
Molecular Weight 205.274 g/mol
Solvent CD3CN
Source File Reference UWED3080