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3-(2-Chlorophenyl)-11-(4-hydroxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
SpectraBase Compound ID 1kKxbnq8uNQ
InChI InChI=1S/C25H21ClN2O2/c26-19-6-2-1-5-18(19)16-13-22-24(23(30)14-16)25(15-9-11-17(29)12-10-15)28-21-8-4-3-7-20(21)27-22/h1-12,16,25,27-29H,13-14H2
InChIKey WRRWDRFYUZNHQM-UHFFFAOYSA-N
Mol Weight 416.91 g/mol
Molecular Formula C25H21ClN2O2
Exact Mass 416.129156 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5LLTAxtwBq6
Name 1H-dibenzo[b,e][1,4]diazepin-1-one, 3-(2-chlorophenyl)-2,3,4,5,10,11-hexahydro-11-(4-hydroxyphenyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 416.129155622 u
Formula C25H21ClN2O2
InChI InChI=1S/C25H21ClN2O2/c26-19-6-2-1-5-18(19)16-13-22-24(23(30)14-16)25(15-9-11-17(29)12-10-15)28-21-8-4-3-7-20(21)27-22/h1-12,16,25,27-29H,13-14H2
InChIKey WRRWDRFYUZNHQM-UHFFFAOYSA-N
Molecular Weight 416.908 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_11486
Solvent DMSO-d6
Source Vendor ID: NMR/10261485; Lab Info: SAS; Lab Number: SAS-tst4005