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5-(2-BENZO-[B]-THIOPHENYL)-1,3-DIHYDRO-1-METHYL-2H-1,4-BENZODIAZEPIN-2-ONE
SpectraBase Compound ID CMlgxJwA93Q
InChI InChI=1S/C18H14N2OS/c1-20-14-8-4-3-7-13(14)18(19-11-17(20)21)16-10-12-6-2-5-9-15(12)22-16/h2-10H,11H2,1H3
InChIKey LNXHDWJDKAQJDE-UHFFFAOYSA-N
Mol Weight 306.38 g/mol
Molecular Formula C18H14N2OS
Exact Mass 306.082684 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5lEw2NwfBeJ
Name 5-(2-BENZO-[B]-THIOPHENYL)-1,3-DIHYDRO-1-METHYL-2H-1,4-BENZODIAZEPIN-2-ONE
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H14N2OS
InChI InChI=1S/C18H14N2OS/c1-20-14-8-4-3-7-13(14)18(19-11-17(20)21)16-10-12-6-2-5-9-15(12)22-16/h2-10H,11H2,1H3
InChIKey LNXHDWJDKAQJDE-UHFFFAOYSA-N
Literature Reference Author A.NADIN,J.M.S.LOPEZ,A.P.OWENS,D.M.HOWELLS,A.C.TALBOT,T.HARRI SON
Literature Reference Citation J.ORG.CHEM.,68,2844(2003)
Literature Reference DOI 10.1021/jo026860a
Molecular Weight 306.382 g/mol
Solvent CDCl3
Source File Reference UWSI22729