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(4aR,4bS,7aR,8S)-6-(4-bromophenyl)-N-(4-chlorophenyl)-5,7-dioxo-4b,5,6,7,7a,8-hexahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-8-carboxamide

View entire compound with spectra: 1 NMR

(4aR,4bS,7aR,8S)-6-(4-bromophenyl)-N-(4-chlorophenyl)-5,7-dioxo-4b,5,6,7,7a,8-hexahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-8-carboxamide
SpectraBase Compound ID KX2XPjsfKL8
InChI InChI=1S/C22H16BrClN4O3/c23-12-3-9-15(10-4-12)27-21(30)17-16-2-1-11-25-28(16)19(18(17)22(27)31)20(29)26-14-7-5-13(24)6-8-14/h1-11,16-19H,(H,26,29)
InChIKey BHPLIEJHEHUWDG-UHFFFAOYSA-N
Mol Weight 499.75 g/mol
Molecular Formula C22H16BrClN4O3
Exact Mass 498.009431 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LpCtNqQ62gX
Name (4aR,4bS,7aR,8S)-6-(4-bromophenyl)-N-(4-chlorophenyl)-5,7-dioxo-4b,5,6,7,7a,8-hexahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-8-carboxamide
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C22H16BrClN4O3/c23-12-3-9-15(10-4-12)27-21(30)17-16-2-1-11-25-28(16)19(18(17)22(27)31)20(29)26-14-7-5-13(24)6-8-14/h1-11,16-19H,(H,26,29)
InChIKey BHPLIEJHEHUWDG-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_1915
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: C99427; Labnumber: NNA05-177; SBI_ID: SBI-001917
Temperature 318 °C