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(4aR,4bS,7aR,8S)-8-(2,2-dimethylpropanoyl)-6-[3-(trifluoromethyl)phenyl]-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)-8-(2,2-dimethylpropanoyl)-6-[3-(trifluoromethyl)phenyl]-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
SpectraBase Compound ID HB9cmaBcOYz
InChI InChI=1S/C21H20F3N3O3/c1-20(2,3)17(28)16-15-14(13-8-5-9-25-27(13)16)18(29)26(19(15)30)12-7-4-6-11(10-12)21(22,23)24/h4-10,13-16H,1-3H3
InChIKey QVIFGLBBOHODFV-UHFFFAOYSA-N
Mol Weight 419.4 g/mol
Molecular Formula C21H20F3N3O3
Exact Mass 419.145676 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1mrzEzNP6C8
Name (4aR,4bS,7aR,8S)-8-(2,2-dimethylpropanoyl)-6-[3-(trifluoromethyl)phenyl]-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/C21H20F3N3O3/c1-20(2,3)17(28)16-15-14(13-8-5-9-25-27(13)16)18(29)26(19(15)30)12-7-4-6-11(10-12)21(22,23)24/h4-10,13-16H,1-3H3
InChIKey QVIFGLBBOHODFV-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_16366
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: D23334; Labnumber: NNA05-482; SBI_ID: SBI-016369
Temperature 318 °C