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2-methyl-4-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carbonitrile

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2-methyl-4-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carbonitrile
SpectraBase Compound ID CrQX6Xd6hHs
InChI InChI=1S/C17H13F3N4O2/c1-9-12(8-21)16(15(26)22-9,17(18,19)20)13-10(2)23-24(14(13)25)11-6-4-3-5-7-11/h3-7,23H,1-2H3,(H,22,26)
InChIKey BEMMJIXHNXESAY-UHFFFAOYSA-N
Mol Weight 362.31 g/mol
Molecular Formula C17H13F3N4O2
Exact Mass 362.09906 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4PUjgHcQkoD
Name 2-methyl-4-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carbonitrile
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/C17H13F3N4O2/c1-9-12(8-21)16(15(26)22-9,17(18,19)20)13-10(2)23-24(14(13)25)11-6-4-3-5-7-11/h3-7,23H,1-2H3,(H,22,26)
InChIKey BEMMJIXHNXESAY-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_20300
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: D16504; Labnumber: SOK-1392; SBI_ID: SBI-020304
Temperature 318 °C