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2-chloro-N-[1-isobutyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]acetamide
SpectraBase Compound ID 8AMeKHLrSIU
InChI InChI=1S/C13H14ClF3N4O4/c1-5(2)4-21-8-7(9(23)19-11(21)25)12(10(24)18-8,13(15,16)17)20-6(22)3-14/h5H,3-4H2,1-2H3,(H,18,24)(H,20,22)(H,19,23,25)
InChIKey OJLIMRJBECOJSM-UHFFFAOYSA-N
Mol Weight 382.73 g/mol
Molecular Formula C13H14ClF3N4O4
Exact Mass 382.065567 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BcErszGLATs
Name 2-chloro-N-[1-isobutyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]acetamide
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/C13H14ClF3N4O4/c1-5(2)4-21-8-7(9(23)19-11(21)25)12(10(24)18-8,13(15,16)17)20-6(22)3-14/h5H,3-4H2,1-2H3,(H,18,24)(H,20,22)(H,19,23,25)
InChIKey OJLIMRJBECOJSM-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_20402
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: D16681; Labnumber: SOK-1601; SBI_ID: SBI-020406
Temperature 318 °C