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3-(3,4-dimethoxyphenyl)-11-(3-pyridinyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
SpectraBase Compound ID DgI82sCPBYJ
InChI InChI=1S/C26H25N3O3/c1-31-23-10-9-16(14-24(23)32-2)18-12-21-25(22(30)13-18)26(17-6-5-11-27-15-17)29-20-8-4-3-7-19(20)28-21/h3-11,14-15,18,26,28-29H,12-13H2,1-2H3
InChIKey BMGCNEXJQXCUPY-UHFFFAOYSA-N
Mol Weight 427.5 g/mol
Molecular Formula C26H25N3O3
Exact Mass 427.189592 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3vgAzuiar5Y
Name 3-(3,4-dimethoxyphenyl)-11-(3-pyridinyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C26H25N3O3/c1-31-23-10-9-16(14-24(23)32-2)18-12-21-25(22(30)13-18)26(17-6-5-11-27-15-17)29-20-8-4-3-7-19(20)28-21/h3-11,14-15,18,26,28-29H,12-13H2,1-2H3
InChIKey BMGCNEXJQXCUPY-UHFFFAOYSA-N
NMR Offset 16.0087
NMR Spectrometer Frequency 500.133
Observed nucleus 1H
Origin 1H_ASIOH_7529_2117
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: NMR/9302658; Labnumber: SAS-tst3096