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1,2,3,11A-TETRAHYDRO-11A-METHYL-11-(PHENYLAMINO)-5H-PYRROLO-[2,1-C]-[1,4]-BENZODIAZEPIN-5-ONE
SpectraBase Compound ID IsSfa91apSP
InChI InChI=1S/C19H19N3O/c1-19-12-7-13-22(19)17(23)15-10-5-6-11-16(15)21-18(19)20-14-8-3-2-4-9-14/h2-6,8-11H,7,12-13H2,1H3,(H,20,21)/t19-/m0/s1
InChIKey XXWWTGONQYYSKG-IBGZPJMESA-N
Mol Weight 305.38 g/mol
Molecular Formula C19H19N3O
Exact Mass 305.152812 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9v8vhVwiaCr
Name 1,2,3,11A-TETRAHYDRO-11A-METHYL-11-(PHENYLAMINO)-5H-PYRROLO-[2,1-C]-[1,4]-BENZODIAZEPIN-5-ONE
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H19N3O
InChI InChI=1S/C19H19N3O/c1-19-12-7-13-22(19)17(23)15-10-5-6-11-16(15)21-18(19)20-14-8-3-2-4-9-14/h2-6,8-11H,7,12-13H2,1H3,(H,20,21)/t19-/m0/s1
InChIKey XXWWTGONQYYSKG-IBGZPJMESA-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 305.379 g/mol
Sample ID 39105
Solvent CDCl3