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2-[(4-amino-6-oxo-1,6-dihydro-2-pyrimidinyl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
SpectraBase Compound ID 9CMu6ejRyog
InChI InChI=1S/C13H11F3N4O2S/c14-13(15,16)7-2-1-3-8(4-7)18-11(22)6-23-12-19-9(17)5-10(21)20-12/h1-5H,6H2,(H,18,22)(H3,17,19,20,21)
InChIKey POQJVSQKBKSEAY-UHFFFAOYSA-N
Mol Weight 344.31 g/mol
Molecular Formula C13H11F3N4O2S
Exact Mass 344.055481 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7LDYLWt9x5G
Name 2-[(4-amino-6-oxo-1,6-dihydro-2-pyrimidinyl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]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/C13H11F3N4O2S/c14-13(15,16)7-2-1-3-8(4-7)18-11(22)6-23-12-19-9(17)5-10(21)20-12/h1-5H,6H2,(H,18,22)(H3,17,19,20,21)
InChIKey POQJVSQKBKSEAY-UHFFFAOYSA-N
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_714
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: ZI/8165673; Labnumber: L-23/0006495
Temperature 297 °C