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11-[(PARA-CHLORO)-PHENYL]-8-[(ORTHO-METHOXY)-PHENYLTHIO]-3,3-DIMETHYL-2,3,4,5,10,11-HEXAHYDRO-1H-DIBENZO-[B,E]-[1,4]-DIAZEPIN-1-ONE
SpectraBase Compound ID 1kOAzd48TjP
InChI InChI=1S/C28H27ClN2O2S/c1-28(2)15-22-26(23(32)16-28)27(17-8-10-18(29)11-9-17)31-21-14-19(12-13-20(21)30-22)34-25-7-5-4-6-24(25)33-3/h4-14,27,30-31H,15-16H2,1-3H3
InChIKey LMVTXLWICGXTRV-UHFFFAOYSA-N
Mol Weight 491.05 g/mol
Molecular Formula C28H27ClN2O2S
Exact Mass 490.148177 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BhBfvn9G3qj
Name 11-[(PARA-CHLORO)-PHENYL]-8-[(ORTHO-METHOXY)-PHENYLTHIO]-3,3-DIMETHYL-2,3,4,5,10,11-HEXAHYDRO-1H-DIBENZO-[B,E]-[1,4]-DIAZEPIN-1-ONE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H27ClN2O2S
InChI InChI=1S/C28H27ClN2O2S/c1-28(2)15-22-26(23(32)16-28)27(17-8-10-18(29)11-9-17)31-21-14-19(12-13-20(21)30-22)34-25-7-5-4-6-24(25)33-3/h4-14,27,30-31H,15-16H2,1-3H3
InChIKey LMVTXLWICGXTRV-UHFFFAOYSA-N
Literature Reference Author E.C.CORTES,A.M.H.SANABRIA,O.G.MELLADO
Literature Reference Citation J.HETCYCL.CHEM.,39,55(2002)
Literature Reference DOI 10.1002/jhet.5570390107
Molecular Weight 491.048 g/mol
Solvent CDCl3
Source File Reference UWSI8471