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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 LBXjEc6BkxP
InChI InChI=1S/C14H17F3N4O4/c1-4-7(22)20-13(14(15,16)17)8-9(18-11(13)24)21(5-6(2)3)12(25)19-10(8)23/h6H,4-5H2,1-3H3,(H,18,24)(H,20,22)(H,19,23,25)
InChIKey BIFHBGXFGOFSIV-UHFFFAOYSA-N
Mol Weight 362.31 g/mol
Molecular Formula C14H17F3N4O4
Exact Mass 362.12019 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FSsfedSlWql
Name 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/C14H17F3N4O4/c1-4-7(22)20-13(14(15,16)17)8-9(18-11(13)24)21(5-6(2)3)12(25)19-10(8)23/h6H,4-5H2,1-3H3,(H,18,24)(H,20,22)(H,19,23,25)
InChIKey BIFHBGXFGOFSIV-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_20242
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: D16438; Labnumber: SOK-1214; SBI_ID: SBI-020246
Temperature 315 °C