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4-{[(4aS,4bR,7aS,8R)-5,7-dioxo-6-phenyl-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 FAr6c5gmm8o
InChI InChI=1S/C24H19N3O5/c1-14(28)32-17-11-9-15(10-12-17)22(29)21-20-19(18-8-5-13-25-27(18)21)23(30)26(24(20)31)16-6-3-2-4-7-16/h2-13,18-21H,1H3
InChIKey OVTYVAITORPHKQ-UHFFFAOYSA-N
Mol Weight 429.43 g/mol
Molecular Formula C24H19N3O5
Exact Mass 429.132471 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IgEvMVodvmF
Name 4-{[(4aS,4bR,7aS,8R)-5,7-dioxo-6-phenyl-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/C24H19N3O5/c1-14(28)32-17-11-9-15(10-12-17)22(29)21-20-19(18-8-5-13-25-27(18)21)23(30)26(24(20)31)16-6-3-2-4-7-16/h2-13,18-21H,1H3
InChIKey OVTYVAITORPHKQ-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_19396
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: D13439; Labnumber: NNA05-302; SBI_ID: SBI-019399
Temperature 308 °C