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3H-1,5-benzodiazepine-2-carboxamide, 4-(4-bromophenyl)-N-phenyl-
SpectraBase Compound ID 8KLLcSjpt9j
InChI InChI=1S/C22H16BrN3O/c23-16-12-10-15(11-13-16)20-14-21(22(27)24-17-6-2-1-3-7-17)26-19-9-5-4-8-18(19)25-20/h1-13H,14H2,(H,24,27)
InChIKey MUPHSBSCEFPQHO-UHFFFAOYSA-N
Mol Weight 418.29 g/mol
Molecular Formula C22H16BrN3O
Exact Mass 417.047675 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ak9d0al4TBz
Name 3H-1,5-benzodiazepine-2-carboxamide, 4-(4-bromophenyl)-N-phenyl-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 417.047675146 u
Formula C22H16BrN3O
InChI InChI=1S/C22H16BrN3O/c23-16-12-10-15(11-13-16)20-14-21(22(27)24-17-6-2-1-3-7-17)26-19-9-5-4-8-18(19)25-20/h1-13H,14H2,(H,24,27)
InChIKey MUPHSBSCEFPQHO-UHFFFAOYSA-N
Molecular Weight 418.294 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_12369
Solvent DMSO-d6
Source Vendor ID: NMR/10272387; Lab Info: ZAL; Lab Number: ZAL-ZVV0011