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N-[1-benzyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]cyclohexanecarboxamide
SpectraBase Compound ID 4Q3l5LTqdj3
InChI InChI=1S/C21H21F3N4O4/c22-21(23,24)20(27-16(29)13-9-5-2-6-10-13)14-15(25-18(20)31)28(19(32)26-17(14)30)11-12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2,(H,25,31)(H,27,29)(H,26,30,32)
InChIKey BMLPETBEZSXYHD-UHFFFAOYSA-N
Mol Weight 450.42 g/mol
Molecular Formula C21H21F3N4O4
Exact Mass 450.15149 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7HRS8M9QpJM
Name N-[1-benzyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]cyclohexanecarboxamide
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/C21H21F3N4O4/c22-21(23,24)20(27-16(29)13-9-5-2-6-10-13)14-15(25-18(20)31)28(19(32)26-17(14)30)11-12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2,(H,25,31)(H,27,29)(H,26,30,32)
InChIKey BMLPETBEZSXYHD-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_20328
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: D16536; Labnumber: SOK-1459; SBI_ID: SBI-020332
Temperature 318 °C