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3H-1,3,4-benzotriazepine, 5-(4-bromophenyl)-7-methyl-2-phenyl-
SpectraBase Compound ID LIT7M9tUY7t
InChI InChI=1S/C21H16BrN3/c1-14-7-12-19-18(13-14)20(15-8-10-17(22)11-9-15)24-25-21(23-19)16-5-3-2-4-6-16/h2-13H,1H3,(H,23,25)
InChIKey GHMFPRWEOQCFFQ-UHFFFAOYSA-N
Mol Weight 390.28 g/mol
Molecular Formula C21H16BrN3
Exact Mass 389.052761 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Jr0hPj12NtL
Name 3H-1,3,4-benzotriazepine, 5-(4-bromophenyl)-7-methyl-2-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 389.052760527 u
Formula C21H16BrN3
InChI InChI=1S/C21H16BrN3/c1-14-7-12-19-18(13-14)20(15-8-10-17(22)11-9-15)24-25-21(23-19)16-5-3-2-4-6-16/h2-13H,1H3,(H,23,25)
InChIKey GHMFPRWEOQCFFQ-UHFFFAOYSA-N
Molecular Weight 390.284 g/mol
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_236
Solvent DMSO-d6
Source Vendor ID: NMR/8255439; Lab Info: LP; Lab Number: LP-3900066
Temperature 23.85 °C