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(4aR,4bS,7aR,8S)-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 7Z9DPyQ4zRr
InChI InChI=1S/C16H12FN3O3/c17-9-5-3-8(4-6-9)14(21)13-12-11(15(22)19-16(12)23)10-2-1-7-18-20(10)13/h1-7,10-13H,(H,19,22,23)
InChIKey JCEBWQSDVUEELZ-UHFFFAOYSA-N
Mol Weight 313.29 g/mol
Molecular Formula C16H12FN3O3
Exact Mass 313.086269 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CyWcX28tL4o
Name (4aR,4bS,7aR,8S)-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/C16H12FN3O3/c17-9-5-3-8(4-6-9)14(21)13-12-11(15(22)19-16(12)23)10-2-1-7-18-20(10)13/h1-7,10-13H,(H,19,22,23)
InChIKey JCEBWQSDVUEELZ-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_16357
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: D23316; Labnumber: NNA05-463; SBI_ID: SBI-016360
Temperature 318 °C