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4-{[(4aS,4bR,7aS,8R)-5,7-dioxo-4b,5,6,7,7a,8-hexahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazin-8-yl]carbonyl}phenyl acetate

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4-{[(4aS,4bR,7aS,8R)-5,7-dioxo-4b,5,6,7,7a,8-hexahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazin-8-yl]carbonyl}phenyl acetate
SpectraBase Compound ID 9VTEUMLjxdN
InChI InChI=1S/C18H15N3O5/c1-9(22)26-11-6-4-10(5-7-11)16(23)15-14-13(17(24)20-18(14)25)12-3-2-8-19-21(12)15/h2-8,12-15H,1H3,(H,20,24,25)
InChIKey MNYXCNOYTXONHX-UHFFFAOYSA-N
Mol Weight 353.33 g/mol
Molecular Formula C18H15N3O5
Exact Mass 353.101171 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HLPB1Tkmhge
Name 4-{[(4aS,4bR,7aS,8R)-5,7-dioxo-4b,5,6,7,7a,8-hexahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazin-8-yl]carbonyl}phenyl acetate
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/C18H15N3O5/c1-9(22)26-11-6-4-10(5-7-11)16(23)15-14-13(17(24)20-18(14)25)12-3-2-8-19-21(12)15/h2-8,12-15H,1H3,(H,20,24,25)
InChIKey MNYXCNOYTXONHX-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_19404
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: D13458; Labnumber: NNA05-321; SBI_ID: SBI-019407
Temperature 308 °C