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7,8-DIMETHOXY-3-(3-[[(4,5-DIMETHOXYBENZOCYCLOBUTAN-1-YL)-METHYL]-METHYLAMINO]-PROPYL)-1,3,4,5-TETRAHYDRO-2H-BENZAZEPIN-2-ONE

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7,8-DIMETHOXY-3-(3-[[(4,5-DIMETHOXYBENZOCYCLOBUTAN-1-YL)-METHYL]-METHYLAMINO]-PROPYL)-1,3,4,5-TETRAHYDRO-2H-BENZAZEPIN-2-ONE
SpectraBase Compound ID 4vZukThyHsA
InChI InChI=1S/C27H36N2O5/c1-28(17-21-11-20-14-25(33-4)26(34-5)16-22(20)21)8-6-9-29-10-7-18-12-23(31-2)24(32-3)13-19(18)15-27(29)30/h12-14,16,21H,6-11,15,17H2,1-5H3
InChIKey ACRHBAYQBXXRTO-UHFFFAOYSA-N
Mol Weight 468.6 g/mol
Molecular Formula C27H36N2O5
Exact Mass 468.262422 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LiFUqlxWUG3
Name 7,8-DIMETHOXY-3-(3-[[(4,5-DIMETHOXYBENZOCYCLOBUTAN-1-YL)-METHYL]-METHYLAMINO]-PROPYL)-1,3,4,5-TETRAHYDRO-2H-BENZAZEPIN-2-ONE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H36N2O5
InChI InChI=1S/C27H36N2O5/c1-28(17-21-11-20-14-25(33-4)26(34-5)16-22(20)21)8-6-9-29-10-7-18-12-23(31-2)24(32-3)13-19(18)15-27(29)30/h12-14,16,21H,6-11,15,17H2,1-5H3
InChIKey ACRHBAYQBXXRTO-UHFFFAOYSA-N
Literature Reference Author D.DUVAL,P.HENNIG,J.P.BOUCHET,J.VIAN,J.L.PEGLION,J.P.VOLLAND, N.PLATZER,J.GUILHEM
Literature Reference Citation MAGN.RES.CHEM.,35,175(1997)
Literature Reference DOI 10.1002/(sici)1097-458x(199703)35:3<175::aid-omr57>3.3.co;2-x
Molecular Weight 468.593 g/mol
Solvent D2O;PH=9
Source File Reference UWCP5459