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pyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione, 3a,6a-dihydro-1-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-5-phenyl-
SpectraBase Compound ID AXjoYiPYZmD
InChI InChI=1S/C22H22N6O3/c29-18(26-13-11-25(12-14-26)16-7-3-1-4-8-16)15-27-20-19(23-24-27)21(30)28(22(20)31)17-9-5-2-6-10-17/h1-10,19-20H,11-15H2
InChIKey ADJGIYKAKRMJPL-UHFFFAOYSA-N
Mol Weight 418.46 g/mol
Molecular Formula C22H22N6O3
Exact Mass 418.175339 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Co87lN5NAdQ
Name pyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione, 3a,6a-dihydro-1-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-5-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 418.175338589 u
Formula C22H22N6O3
InChI InChI=1S/C22H22N6O3/c29-18(26-13-11-25(12-14-26)16-7-3-1-4-8-16)15-27-20-19(23-24-27)21(30)28(22(20)31)17-9-5-2-6-10-17/h1-10,19-20H,11-15H2
InChIKey ADJGIYKAKRMJPL-UHFFFAOYSA-N
Molecular Weight 418.457 g/mol
NMR Offset 17.9973
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_8086
Solvent DMSO-d6
Source Vendor ID: NMR/13309077