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(E)-S-(1,1,1-TRIFLUORO-6-METHYL-2-HEPTEN-4-YN-2-YL)-8-MERCAPTOHYPOXANTHINE
SpectraBase Compound ID EJXEFjb5t3L
InChI InChI=1S/C13H11F3N4OS/c1-7(2)4-3-5-8(13(14,15)16)22-12-19-9-10(20-12)17-6-18-11(9)21/h5-7H,1-2H3,(H2,17,18,19,20,21)/b8-5+
InChIKey GPYFBKXPNROGAM-VMPITWQZSA-N
Mol Weight 328.31 g/mol
Molecular Formula C13H11F3N4OS
Exact Mass 328.060567 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8Wi21naqwV1
Name (E)-S-(1,1,1-TRIFLUORO-6-METHYL-2-HEPTEN-4-YN-2-YL)-8-MERCAPTOHYPOXANTHINE
Comments SCALE INVERTED;RA-2306 (RUSSIAN)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H11F3N4OS
InChI InChI=1S/C13H11F3N4OS/c1-7(2)4-3-5-8(13(14,15)16)22-12-19-9-10(20-12)17-6-18-11(9)21/h5-7H,1-2H3,(H2,17,18,19,20,21)/b8-5+
InChIKey GPYFBKXPNROGAM-VMPITWQZSA-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