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pyrrolo[3,4-c]pyrazol-6(1H)-one, 3-(4-bromophenyl)-4,5-dihydro-5-(4-methylphenyl)-4-(2-pyridinyl)-
SpectraBase Compound ID 67YJX0FMyth
InChI InChI=1S/C23H17BrN4O/c1-14-5-11-17(12-6-14)28-22(18-4-2-3-13-25-18)19-20(26-27-21(19)23(28)29)15-7-9-16(24)10-8-15/h2-13,22H,1H3,(H,26,27)
InChIKey LJXLKVHMOQCMFP-UHFFFAOYSA-N
Mol Weight 445.32 g/mol
Molecular Formula C23H17BrN4O
Exact Mass 444.058574 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BBYuWyjLsYS
Name pyrrolo[3,4-c]pyrazol-6(1H)-one, 3-(4-bromophenyl)-4,5-dihydro-5-(4-methylphenyl)-4-(2-pyridinyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 444.058574182 u
Formula C23H17BrN4O
InChI InChI=1S/C23H17BrN4O/c1-14-5-11-17(12-6-14)28-22(18-4-2-3-13-25-18)19-20(26-27-21(19)23(28)29)15-7-9-16(24)10-8-15/h2-13,22H,1H3,(H,26,27)
InChIKey LJXLKVHMOQCMFP-UHFFFAOYSA-N
Molecular Weight 445.320 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_7388
Solvent DMSO-d6
Source Vendor ID: NMR/13308162