For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
11-(6-chloro-1,3-benzodioxol-5-yl)-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
SpectraBase Compound ID IUiwaCBH9FE
InChI InChI=1S/C26H21ClN2O3/c27-18-13-24-23(31-14-32-24)12-17(18)26-25-21(28-19-8-4-5-9-20(19)29-26)10-16(11-22(25)30)15-6-2-1-3-7-15/h1-9,12-13,16,26,28-29H,10-11,14H2
InChIKey GVFVTHRQZMBLLI-UHFFFAOYSA-N
Mol Weight 444.92 g/mol
Molecular Formula C26H21ClN2O3
Exact Mass 444.12407 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID CxDwH67WVEP
Name 11-(6-chloro-1,3-benzodioxol-5-yl)-3-phenyl-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/C26H21ClN2O3/c27-18-13-24-23(31-14-32-24)12-17(18)26-25-21(28-19-8-4-5-9-20(19)29-26)10-16(11-22(25)30)15-6-2-1-3-7-15/h1-9,12-13,16,26,28-29H,10-11,14H2
InChIKey GVFVTHRQZMBLLI-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_17325
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: UZI/9031337; Labnumber: SAS0004199; UZI_ID: UZI-017332
Temperature 308 °C