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3-acetyl-5-(3-chloro-2-methylphenyl)-1-(4-methoxyphenyl)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
SpectraBase Compound ID 6u6AYmYVIbT
InChI InChI=1S/C21H18ClN3O4/c1-11-15(22)5-4-6-16(11)24-20(27)17-18(12(2)26)23-25(19(17)21(24)28)13-7-9-14(29-3)10-8-13/h4-10,17,19H,1-3H3
InChIKey NBMUROVNAAZXJE-UHFFFAOYSA-N
Mol Weight 411.85 g/mol
Molecular Formula C21H18ClN3O4
Exact Mass 411.098584 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID G9dYnpI2Fcg
Name 3-acetyl-5-(3-chloro-2-methylphenyl)-1-(4-methoxyphenyl)-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/C21H18ClN3O4/c1-11-15(22)5-4-6-16(11)24-20(27)17-18(12(2)26)23-25(19(17)21(24)28)13-7-9-14(29-3)10-8-13/h4-10,17,19H,1-3H3
InChIKey NBMUROVNAAZXJE-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_7446
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: D29795; Labnumber: SPGAL3-0370; SBI_ID: SBI-007449
Temperature 315 °C