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(4aR,4bS,7aR,8S)-6-(4-chlorophenyl)-8-(4-fluorobenzoyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione

View entire compound with spectra: 1 NMR

(4aR,4bS,7aR,8S)-6-(4-chlorophenyl)-8-(4-fluorobenzoyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
SpectraBase Compound ID rJXsNeEi0w
InChI InChI=1S/C22H15ClFN3O3/c23-13-5-9-15(10-6-13)26-21(29)17-16-2-1-11-25-27(16)19(18(17)22(26)30)20(28)12-3-7-14(24)8-4-12/h1-11,16-19H
InChIKey NOUCSULMUOKRQB-UHFFFAOYSA-N
Mol Weight 423.83 g/mol
Molecular Formula C22H15ClFN3O3
Exact Mass 423.078597 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BeoCMHu45qH
Name (4aR,4bS,7aR,8S)-6-(4-chlorophenyl)-8-(4-fluorobenzoyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C22H15ClFN3O3/c23-13-5-9-15(10-6-13)26-21(29)17-16-2-1-11-25-27(16)19(18(17)22(26)30)20(28)12-3-7-14(24)8-4-12/h1-11,16-19H
InChIKey NOUCSULMUOKRQB-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_16355
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: D23314; Labnumber: NNA05-461; SBI_ID: SBI-016358
Temperature 318 °C