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(2-R,11A-S)-7,8-DIMETHOXY-2-(4-METHOXYPHENYL)-2,3-DIHYDRO-1-H-PYRROLO-[2.1-C]-[1.4]-BENZODAZEPIN-5-(11A-H)-ONE
SpectraBase Compound ID D7ufBD89nqh
InChI InChI=1S/C21H22N2O4/c1-25-16-6-4-13(5-7-16)14-8-15-11-22-18-10-20(27-3)19(26-2)9-17(18)21(24)23(15)12-14/h4-7,9-11,14-15H,8,12H2,1-3H3/t14-,15-/m0/s1
InChIKey UTHZLYZIRBZGKX-GJZGRUSLSA-N
Mol Weight 366.42 g/mol
Molecular Formula C21H22N2O4
Exact Mass 366.157957 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dud9FRhiGfZ
Name (2-R,11A-S)-7,8-DIMETHOXY-2-(4-METHOXYPHENYL)-2,3-DIHYDRO-1-H-PYRROLO-[2.1-C]-[1.4]-BENZODAZEPIN-5-(11A-H)-ONE
Compound Number 27
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H22N2O4
InChI InChI=1S/C21H22N2O4/c1-25-16-6-4-13(5-7-16)14-8-15-11-22-18-10-20(27-3)19(26-2)9-17(18)21(24)23(15)12-14/h4-7,9-11,14-15H,8,12H2,1-3H3/t14-,15-/m0/s1
InChIKey UTHZLYZIRBZGKX-GJZGRUSLSA-N
Literature Reference Author D.ANTONOW,M.KALISZCZAK,G.D.KANG,M.COFFILS,A.C.TIBERGHIEN,N.C OOPER,T.BARATA,S.HEI
Literature Reference Citation J.MED.CHEM.,53,2933(2010)
Molecular Weight 366.417 g/mol
Solvent CDCl3
Source File Reference UWMZ46636