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5,6-DI-(4-FLUOROPHENYL)-1,3-DIAZETO-[1',2'-A]-THIENO-[3,2-D]-[1,3]-DIAZEPINE
SpectraBase Compound ID BUc7Pyj7hh3
InChI InChI=1S/C23H16F2N4O2S/c1-2-31-21(30)19-13-20-18(11-12-32-20)27-23-28(17-9-5-15(25)6-10-17)22(29(19)23)26-16-7-3-14(24)4-8-16/h3-13H,2H2,1H3/b26-22+
InChIKey DRLJZSXFJCCKRU-XTCLZLMSSA-N
Mol Weight 450.46 g/mol
Molecular Formula C23H16F2N4O2S
Exact Mass 450.096203 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7aapIxyRDVF
Name 5,6-DI-(4-FLUOROPHENYL)-1,3-DIAZETO-[1',2'-A]-THIENO-[3,2-D]-[1,3]-DIAZEPINE
Compound Number 15B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H16F2N4O2S
InChI InChI=1S/C23H16F2N4O2S/c1-2-31-21(30)19-13-20-18(11-12-32-20)27-23-28(17-9-5-15(25)6-10-17)22(29(19)23)26-16-7-3-14(24)4-8-16/h3-13H,2H2,1H3/b26-22+
InChIKey DRLJZSXFJCCKRU-XTCLZLMSSA-N
Literature Reference Author P.MOLINA,A.ARQUES,A.ALIAS
Literature Reference Citation J.ORG.CHEM.,58,5264(1993)
Literature Reference DOI 10.1021/jo00071a043
Molecular Weight 450.462 g/mol
Solvent CDCl3
Source File Reference UWCS22361