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4-{[(4aS,4bR,7aS,8R)-6-(4-methoxyphenyl)-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-methoxyphenyl)-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 7EpoJtKNYlY
InChI InChI=1S/C25H21N3O6/c1-14(29)34-18-9-5-15(6-10-18)23(30)22-21-20(19-4-3-13-26-28(19)22)24(31)27(25(21)32)16-7-11-17(33-2)12-8-16/h3-13,19-22H,1-2H3
InChIKey LNYWTMYBPVNJNB-UHFFFAOYSA-N
Mol Weight 459.46 g/mol
Molecular Formula C25H21N3O6
Exact Mass 459.143035 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ANL2NusF4Im
Name 4-{[(4aS,4bR,7aS,8R)-6-(4-methoxyphenyl)-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/C25H21N3O6/c1-14(29)34-18-9-5-15(6-10-18)23(30)22-21-20(19-4-3-13-26-28(19)22)24(31)27(25(21)32)16-7-11-17(33-2)12-8-16/h3-13,19-22H,1-2H3
InChIKey LNYWTMYBPVNJNB-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_19397
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: D13440; Labnumber: NNA05-303; SBI_ID: SBI-019400
Temperature 308 °C