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1,2,3,11A-TETRAHYDRO-11-(PHENYLAMINO)-5H-PYRROLO-[2,1-C]-[1,4]-BENZODIAZEPIN-5-ONE
SpectraBase Compound ID 9TmkzSGxFxf
InChI InChI=1S/C18H17N3O/c22-18-14-9-4-5-10-15(14)20-17(16-11-6-12-21(16)18)19-13-7-2-1-3-8-13/h1-5,7-10,16H,6,11-12H2,(H,19,20)/t16-/m0/s1
InChIKey NLKAYSFRHQYHJE-INIZCTEOSA-N
Mol Weight 291.35 g/mol
Molecular Formula C18H17N3O
Exact Mass 291.137162 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FA6YcFYlmlN
Name 1,2,3,11A-TETRAHYDRO-11-(PHENYLAMINO)-5H-PYRROLO-[2,1-C]-[1,4]-BENZODIAZEPIN-5-ONE
Compound Number 9B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H17N3O
InChI InChI=1S/C18H17N3O/c22-18-14-9-4-5-10-15(14)20-17(16-11-6-12-21(16)18)19-13-7-2-1-3-8-13/h1-5,7-10,16H,6,11-12H2,(H,19,20)/t16-/m0/s1
InChIKey NLKAYSFRHQYHJE-INIZCTEOSA-N
Literature Reference Author A.SCHMIDT,A.G.SHILABIN,J.C.NAMYSLO,M.NIEGER,S.HEMMEN
Literature Reference Citation EUR.J.ORG.CHEM.,1781(2005)
Literature Reference DOI 10.1002/ejoc.200400738
Molecular Weight 291.352 g/mol
Sample ID 39102
Solvent CDCl3