For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(E)-S-(1,1,1-TRIFLUORO-6,6-DIMETHYL-2-HEPTEN-4-YN-2-YL)-8-MERCAPTOHYPOXANTHINE
SpectraBase Compound ID 60D645fQeEQ
InChI InChI=1S/C14H13F3N4OS/c1-13(2,3)6-4-5-8(14(15,16)17)23-12-20-9-10(21-12)18-7-19-11(9)22/h5,7H,1-3H3,(H2,18,19,20,21,22)/b8-5+
InChIKey GOOXJVMTMYQWEL-VMPITWQZSA-N
Mol Weight 342.34 g/mol
Molecular Formula C14H13F3N4OS
Exact Mass 342.076217 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 4tXjfbY0v5a
Name (E)-S-(1,1,1-TRIFLUORO-6,6-DIMETHYL-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 C14H13F3N4OS
InChI InChI=1S/C14H13F3N4OS/c1-13(2,3)6-4-5-8(14(15,16)17)23-12-20-9-10(21-12)18-7-19-11(9)22/h5,7H,1-3H3,(H2,18,19,20,21,22)/b8-5+
InChIKey GOOXJVMTMYQWEL-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