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N-[2,4,6-trioxo-1-(2-phenylethyl)-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]pentanamide
SpectraBase Compound ID HSxnd6orV0q
InChI InChI=1S/C20H21F3N4O4/c1-2-3-9-13(28)26-19(20(21,22)23)14-15(24-17(19)30)27(18(31)25-16(14)29)11-10-12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3,(H,24,30)(H,26,28)(H,25,29,31)
InChIKey MWTKHYIBRBUQHF-UHFFFAOYSA-N
Mol Weight 438.41 g/mol
Molecular Formula C20H21F3N4O4
Exact Mass 438.15149 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID E5rOTHIJcuS
Name N-[2,4,6-trioxo-1-(2-phenylethyl)-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]pentanamide
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/C20H21F3N4O4/c1-2-3-9-13(28)26-19(20(21,22)23)14-15(24-17(19)30)27(18(31)25-16(14)29)11-10-12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3,(H,24,30)(H,26,28)(H,25,29,31)
InChIKey MWTKHYIBRBUQHF-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_20247
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: D16443; Labnumber: SOK-1228; SBI_ID: SBI-020251
Temperature 315 °C