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1-ETHYNYLMETHYLTHIO-6-TRIFLUOROMETHYLPYRIMID-3-ONE

View entire compound with spectra: 2 NMR

1-ETHYNYLMETHYLTHIO-6-TRIFLUOROMETHYLPYRIMID-3-ONE
SpectraBase Compound ID 2CUEn8ygw7n
InChI InChI=1S/C8H5F3N2OS/c1-2-3-15-7-12-5(8(9,10)11)4-6(14)13-7/h1,4H,3H2,(H,12,13,14)
InChIKey HJOZLRQXVJYFIU-UHFFFAOYSA-N
Mol Weight 234.2 g/mol
Molecular Formula C8H5F3N2OS
Exact Mass 234.007468 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G4zHWo34isG
Name 1-ETHYNYLMETHYLTHIO-6-TRIFLUOROMETHYLPYRIMID-3-ONE
Compound Number 1126
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H5F3N2OS
InChI InChI=1S/C8H5F3N2OS/c1-2-3-15-7-12-5(8(9,10)11)4-6(14)13-7/h1,4H,3H2,(H,12,13,14)
InChIKey HJOZLRQXVJYFIU-UHFFFAOYSA-N
Literature Reference Author W.ROBIEN
Literature Reference Citation W.ROBIEN,PRIVATE_COMMUNICATION
Molecular Weight 234.196 g/mol
Sample ID 4782
Solvent DMSO-D6