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3-acetyl-1-(4-bromophenyl)-5-(3-chloro-2-methylphenyl)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
SpectraBase Compound ID 56Q3WheZ8GZ
InChI InChI=1S/C20H15BrClN3O3/c1-10-14(22)4-3-5-15(10)24-19(27)16-17(11(2)26)23-25(18(16)20(24)28)13-8-6-12(21)7-9-13/h3-9,16,18H,1-2H3
InChIKey IMMVMIKOQHAMIG-UHFFFAOYSA-N
Mol Weight 460.72 g/mol
Molecular Formula C20H15BrClN3O3
Exact Mass 458.998532 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID C3ieCmNF574
Name 3-acetyl-1-(4-bromophenyl)-5-(3-chloro-2-methylphenyl)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-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/C20H15BrClN3O3/c1-10-14(22)4-3-5-15(10)24-19(27)16-17(11(2)26)23-25(18(16)20(24)28)13-8-6-12(21)7-9-13/h3-9,16,18H,1-2H3
InChIKey IMMVMIKOQHAMIG-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_9286
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: D53404; Labnumber: SPGAL3-0361; SBI_ID: SBI-009289
Temperature 308 °C