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4-{[(4aS,4bR,7aS,8R)-6-(4-methylphenyl)-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

View entire compound with spectra: 1 NMR

4-{[(4aS,4bR,7aS,8R)-6-(4-methylphenyl)-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 4wkPna3dT32
InChI InChI=1S/C25H21N3O5/c1-14-5-9-17(10-6-14)27-24(31)20-19-4-3-13-26-28(19)22(21(20)25(27)32)23(30)16-7-11-18(12-8-16)33-15(2)29/h3-13,19-22H,1-2H3
InChIKey ODRSGVPAKCIRNW-UHFFFAOYSA-N
Mol Weight 443.46 g/mol
Molecular Formula C25H21N3O5
Exact Mass 443.148121 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GGvSGJziDeP
Name 4-{[(4aS,4bR,7aS,8R)-6-(4-methylphenyl)-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/C25H21N3O5/c1-14-5-9-17(10-6-14)27-24(31)20-19-4-3-13-26-28(19)22(21(20)25(27)32)23(30)16-7-11-18(12-8-16)33-15(2)29/h3-13,19-22H,1-2H3
InChIKey ODRSGVPAKCIRNW-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_19395
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: D13438; Labnumber: NNA05-301; SBI_ID: SBI-019398
Temperature 308 °C