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3,3-dimethyl-2,3,4,5,10,11-hexahydro-11-(2-thienyl)-1H-dibenzo[b,e][1,4]diazepin-1-one
SpectraBase Compound ID CfhlRoHTWJt
InChI InChI=1S/C19H20N2OS/c1-19(2)10-14-17(15(22)11-19)18(16-8-5-9-23-16)21-13-7-4-3-6-12(13)20-14/h3-9,18,20-21H,10-11H2,1-2H3
InChIKey DWCFHVFCERGUIS-UHFFFAOYSA-N
Mol Weight 324.44 g/mol
Molecular Formula C19H20N2OS
Exact Mass 324.129634 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6CaOUkuiFeC
Name 3,3-DIMETHYL-2,3,4,5,10,11-HEXAHYDRO-11-(2-THIENYL)-1H-DIBENZO[b,e][1,4]DIAZEPIN-1-ONE
Source of Sample J.-J. Vanden Eynde, University of Mons-Hainaut, Mons, Belgium
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H20N2OS
InChI InChI=1S/C19H20N2OS/c1-19(2)10-14-17(15(22)11-19)18(16-8-5-9-23-16)21-13-7-4-3-6-12(13)20-14/h3-9,18,20-21H,10-11H2,1-2H3
InChIKey DWCFHVFCERGUIS-UHFFFAOYSA-N
Melting Point 253-255C
Molecular Weight 324.45
Solvent Dimethyl sulfoxide-d6; Reference=TMS Spectrometer= Bruker AC-300
Synonyms 1H-DIBENZO/B,E//1,4/DIAZEPIN-1-ONE, 3,3-DIMETHYL-2,3,4,5,10,11-HEXAHYDRO- 11-/2-THIENYL/-,