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(4aR,4bS,7aR,8S)-N-(4-chlorophenyl)-6-(4-fluorophenyl)-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)-N-(4-chlorophenyl)-6-(4-fluorophenyl)-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 Jl85hPbcilx
InChI InChI=1S/C22H16ClFN4O3/c23-12-3-7-14(8-4-12)26-20(29)19-18-17(16-2-1-11-25-28(16)19)21(30)27(22(18)31)15-9-5-13(24)6-10-15/h1-11,16-19H,(H,26,29)
InChIKey FQVXJUPZAGDTDC-UHFFFAOYSA-N
Mol Weight 438.85 g/mol
Molecular Formula C22H16ClFN4O3
Exact Mass 438.089496 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AYcSIQKo4Wp
Name (4aR,4bS,7aR,8S)-N-(4-chlorophenyl)-6-(4-fluorophenyl)-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/C22H16ClFN4O3/c23-12-3-7-14(8-4-12)26-20(29)19-18-17(16-2-1-11-25-28(16)19)21(30)27(22(18)31)15-9-5-13(24)6-10-15/h1-11,16-19H,(H,26,29)
InChIKey FQVXJUPZAGDTDC-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_1913
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: C99425; Labnumber: NNA05-175; SBI_ID: SBI-001915
Temperature 318 °C