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(E)-S-(1,1,1-TRIFLUORO-6,6-DIMETHYL-2-HEPTEN-4-YN-2-YL)-6-MERCAPTOPURINE
SpectraBase Compound ID 5wxjQuzIn3S
InChI InChI=1S/C14H13F3N4S/c1-13(2,3)6-4-5-9(14(15,16)17)22-12-10-11(19-7-18-10)20-8-21-12/h5,7-8H,1-3H3,(H,18,19,20,21)/b9-5+
InChIKey BNFQCRZFFCSAIK-WEVVVXLNSA-N
Mol Weight 326.34 g/mol
Molecular Formula C14H13F3N4S
Exact Mass 326.081302 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 82N4ejVMCwy
Name (E)-S-(1,1,1-TRIFLUORO-6,6-DIMETHYL-2-HEPTEN-4-YN-2-YL)-6-MERCAPTOPURINE
Comments SCALE INVERTED;RA-2306 (RUSSIAN)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C14H13F3N4S
InChI InChI=1S/C14H13F3N4S/c1-13(2,3)6-4-5-9(14(15,16)17)22-12-10-11(19-7-18-10)20-8-21-12/h5,7-8H,1-3H3,(H,18,19,20,21)/b9-5+
InChIKey BNFQCRZFFCSAIK-WEVVVXLNSA-N
Instrument Name SEE COMMENT
Literature Reference E.S.TURBANOVA, N.A.ORLOVA, E.V.RATSINO, L.B.SOKOLOV (1981)Zhurn.Org.Khim.(Russ. Lang.): v.17, N4, 736-740.
NMR Standard -CF3COOH external
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent not reported