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

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(4aR,4bS,7aR,8S)-6-cyclohexyl-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 5qfNpx5ZXQm
InChI InChI=1S/C22H22FN3O3/c23-14-10-8-13(9-11-14)20(27)19-18-17(16-7-4-12-24-26(16)19)21(28)25(22(18)29)15-5-2-1-3-6-15/h4,7-12,15-19H,1-3,5-6H2
InChIKey VKFSIDCGJKBWPB-UHFFFAOYSA-N
Mol Weight 395.43 g/mol
Molecular Formula C22H22FN3O3
Exact Mass 395.16452 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2MqEN47YUuA
Name (4aR,4bS,7aR,8S)-6-cyclohexyl-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/C22H22FN3O3/c23-14-10-8-13(9-11-14)20(27)19-18-17(16-7-4-12-24-26(16)19)21(28)25(22(18)29)15-5-2-1-3-6-15/h4,7-12,15-19H,1-3,5-6H2
InChIKey VKFSIDCGJKBWPB-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_16360
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: D23320; Labnumber: NNA05-467; SBI_ID: SBI-016363
Temperature 318 °C