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(4aS,4bR,7aS,8R)-8-(2,2-dimethylpropanoyl)-6-(3-nitrophenyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione

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(4aS,4bR,7aS,8R)-8-(2,2-dimethylpropanoyl)-6-(3-nitrophenyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
SpectraBase Compound ID AL8D9zUIglC
InChI InChI=1S/C20H20N4O5/c1-20(2,3)17(25)16-15-14(13-8-5-9-21-23(13)16)18(26)22(19(15)27)11-6-4-7-12(10-11)24(28)29/h4-10,13-16H,1-3H3
InChIKey MXRXMPOFPWKSLI-UHFFFAOYSA-N
Mol Weight 396.4 g/mol
Molecular Formula C20H20N4O5
Exact Mass 396.14337 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AHm8CMgOH1g
Name (4aS,4bR,7aS,8R)-8-(2,2-dimethylpropanoyl)-6-(3-nitrophenyl)-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/C20H20N4O5/c1-20(2,3)17(25)16-15-14(13-8-5-9-21-23(13)16)18(26)22(19(15)27)11-6-4-7-12(10-11)24(28)29/h4-10,13-16H,1-3H3
InChIKey MXRXMPOFPWKSLI-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_6114
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: D13500; Labnumber: NNA05-366; SBI_ID: SBI-006117
Temperature 308 °C