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(4aR,4bS,7aR,8S)-6-(4-acetylphenyl)-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-acetylphenyl)-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 AqIlAkOIiOE
InChI InChI=1S/C24H18FN3O4/c1-13(29)14-6-10-17(11-7-14)27-23(31)19-18-3-2-12-26-28(18)21(20(19)24(27)32)22(30)15-4-8-16(25)9-5-15/h2-12,18-21H,1H3
InChIKey MNXUUXAJHDZGSX-UHFFFAOYSA-N
Mol Weight 431.42 g/mol
Molecular Formula C24H18FN3O4
Exact Mass 431.128134 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GkW8mvS1HXZ
Name (4aR,4bS,7aR,8S)-6-(4-acetylphenyl)-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 © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C24H18FN3O4/c1-13(29)14-6-10-17(11-7-14)27-23(31)19-18-3-2-12-26-28(18)21(20(19)24(27)32)22(30)15-4-8-16(25)9-5-15/h2-12,18-21H,1H3
InChIKey MNXUUXAJHDZGSX-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_16352
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: D23310; Labnumber: NNA05-457; SBI_ID: SBI-016355
Temperature 318 °C