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5-Trifluoromethylmercapto-5-ethyl-barbituric acid
SpectraBase Compound ID B7gkPV86iMl
InChI InChI=1S/C7H7F3N2O3S/c1-2-6(16-7(8,9)10)3(13)11-5(15)12-4(6)14/h2H2,1H3,(H2,11,12,13,14,15)
InChIKey CSRRULOVJNCNKK-UHFFFAOYSA-N
Mol Weight 256.2 g/mol
Molecular Formula C7H7F3N2O3S
Exact Mass 256.012948 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7y4Wag9pxU0
Name 5-Trifluoromethylmercapto-5-ethyl-barbituric acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H7F3N2O3S
InChI InChI=1S/C7H7F3N2O3S/c1-2-6(16-7(8,9)10)3(13)11-5(15)12-4(6)14/h2H2,1H3,(H2,11,12,13,14,15)
InChIKey CSRRULOVJNCNKK-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cber.19721050611
Molecular Weight 256.199 g/mol
SMILES N1C(NC(C(C1=O)(SC(F)(F)F)CC)=O)=O
SPLASH splash10-004i-3090000000-8fa461d4f4a8138ab2b3
Source of Spectrum K-105-1890-5
Synonyms 5-Ethyl-5-((trifluoromethyl)thio)pyrimidine-2,4,6(1H,3H,5H)-trione
Wiley ID 1794725