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(4aR,4bS,7aR,8S)-6-(3,5-dichlorophenyl)-8-(2,2-dimethylpropanoyl)-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-(3,5-dichlorophenyl)-8-(2,2-dimethylpropanoyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
SpectraBase Compound ID ElyjGD5hGOb
InChI InChI=1S/C20H19Cl2N3O3/c1-20(2,3)17(26)16-15-14(13-5-4-6-23-25(13)16)18(27)24(19(15)28)12-8-10(21)7-11(22)9-12/h4-9,13-16H,1-3H3
InChIKey PBCZZUVKQDBLBP-UHFFFAOYSA-N
Mol Weight 420.3 g/mol
Molecular Formula C20H19Cl2N3O3
Exact Mass 419.080347 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Fi0WTSJcQUV
Name (4aR,4bS,7aR,8S)-6-(3,5-dichlorophenyl)-8-(2,2-dimethylpropanoyl)-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/C20H19Cl2N3O3/c1-20(2,3)17(26)16-15-14(13-5-4-6-23-25(13)16)18(27)24(19(15)28)12-8-10(21)7-11(22)9-12/h4-9,13-16H,1-3H3
InChIKey PBCZZUVKQDBLBP-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_16363
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: D23331; Labnumber: NNA05-477; SBI_ID: SBI-016366
Temperature 318 °C