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Methanesulfenamide, 1,1,1-trifluoro-N-1H-purin-6-yl-
SpectraBase Compound ID K1Day4uUDxj
InChI InChI=1S/C6H4F3N5S/c7-6(8,9)15-14-5-3-4(11-1-10-3)12-2-13-5/h1-2H,(H2,10,11,12,13,14)
InChIKey KFJAMZIROKFWNW-UHFFFAOYSA-N
Mol Weight 235.19 g/mol
Molecular Formula C6H4F3N5S
Exact Mass 235.013951 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7VgvRFz2m4I
Name N6-(Trifluoromethylmercapto)adenine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H4F3N5S
InChI InChI=1S/C6H4F3N5S/c7-6(8,9)15-14-5-3-4(11-1-10-3)12-2-13-5/h1-2H,(H2,10,11,12,13,14)
InChIKey KFJAMZIROKFWNW-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cber.19751080142
Molecular Weight 235.188 g/mol
SMILES [nH]1cnc2c1ncnc2NSC(F)(F)F
SPLASH splash10-014r-9720000000-d63530fea1c4984dd7a4
Source of Spectrum K-108-336-1a
Synonyms N-(9H-purin-6-yl)-S-(trifluoromethyl)thiohydroxylamine
Wiley ID 1793813