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3-cyclohexyl-N-[1-isobutyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]propanamide

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3-cyclohexyl-N-[1-isobutyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]propanamide
SpectraBase Compound ID 240iSKY0QeT
InChI InChI=1S/C20H27F3N4O4/c1-11(2)10-27-15-14(16(29)25-18(27)31)19(17(30)24-15,20(21,22)23)26-13(28)9-8-12-6-4-3-5-7-12/h11-12H,3-10H2,1-2H3,(H,24,30)(H,26,28)(H,25,29,31)
InChIKey WWDROQOEXLSDJN-UHFFFAOYSA-N
Mol Weight 444.46 g/mol
Molecular Formula C20H27F3N4O4
Exact Mass 444.19844 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3X3Hb2GpMwH
Name 3-cyclohexyl-N-[1-isobutyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]propanamide
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/C20H27F3N4O4/c1-11(2)10-27-15-14(16(29)25-18(27)31)19(17(30)24-15,20(21,22)23)26-13(28)9-8-12-6-4-3-5-7-12/h11-12H,3-10H2,1-2H3,(H,24,30)(H,26,28)(H,25,29,31)
InChIKey WWDROQOEXLSDJN-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_20384
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: D16661; Labnumber: SOK-1226; SBI_ID: SBI-020388
Temperature 318 °C