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(4aR,4bS,7aR,8S)-6-(4-acetylphenyl)-8-(2,2-dimethylpropanoyl)-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)-6-(4-acetylphenyl)-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 ETWG8EQSRYZ
InChI InChI=1S/C22H23N3O4/c1-12(26)13-7-9-14(10-8-13)24-20(28)16-15-6-5-11-23-25(15)18(17(16)21(24)29)19(27)22(2,3)4/h5-11,15-18H,1-4H3
InChIKey AQWRCZLAEPKLBD-UHFFFAOYSA-N
Mol Weight 393.44 g/mol
Molecular Formula C22H23N3O4
Exact Mass 393.168856 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HMWhYOXXBw5
Name (4aR,4bS,7aR,8S)-6-(4-acetylphenyl)-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/C22H23N3O4/c1-12(26)13-7-9-14(10-8-13)24-20(28)16-15-6-5-11-23-25(15)18(17(16)21(24)29)19(27)22(2,3)4/h5-11,15-18H,1-4H3
InChIKey AQWRCZLAEPKLBD-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_16364
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: D23332; Labnumber: NNA05-478; SBI_ID: SBI-016367
Temperature 318 °C