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2-(4-bromophenyl)-9-phenyltetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione
SpectraBase Compound ID Csu31Hlr1cu
InChI InChI=1S/C20H18BrN3O2/c21-14-7-9-15(10-8-14)24-19(25)16-17(13-5-2-1-3-6-13)22-11-4-12-23(22)18(16)20(24)26/h1-3,5-10,16-18H,4,11-12H2
InChIKey CQKSZOVZCBXIJV-UHFFFAOYSA-N
Mol Weight 412.29 g/mol
Molecular Formula C20H18BrN3O2
Exact Mass 411.05824 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2y6OiaR8e49
Name 5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione, 2-(4-bromophenyl)tetrahydro-9-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 411.058239830 u
Formula C20H18BrN3O2
InChI InChI=1S/C20H18BrN3O2/c21-14-7-9-15(10-8-14)24-19(25)16-17(13-5-2-1-3-6-13)22-11-4-12-23(22)18(16)20(24)26/h1-3,5-10,16-18H,4,11-12H2
InChIKey CQKSZOVZCBXIJV-UHFFFAOYSA-N
Molecular Weight 412.287 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_1242
Solvent DMSO-d6
Source Vendor ID: ZI/8127304; Lab Info: LD; Lab Number: LD-apm0067