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(Z)-S-(3,3,3-TRIFLUORO-1-PROPENYL)-6-MERCAPTOPURINE
SpectraBase Compound ID 89Sw8jTQ71D
InChI InChI=1S/C8H5F3N4S/c9-8(10,11)1-2-16-7-5-6(13-3-12-5)14-4-15-7/h1-4H,(H,12,13,14,15)/b2-1-
InChIKey UYSQZVHFILUQDN-UPHRSURJSA-N
Mol Weight 246.21 g/mol
Molecular Formula C8H5F3N4S
Exact Mass 246.018702 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7rj5z2EFA08
Name (Z)-S-(3,3,3-TRIFLUORO-1-PROPENYL)-6-MERCAPTOPURINE
Comments SCALE INVERTED;RA-2306 (RUSSIAN)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H5F3N4S
InChI InChI=1S/C8H5F3N4S/c9-8(10,11)1-2-16-7-5-6(13-3-12-5)14-4-15-7/h1-4H,(H,12,13,14,15)/b2-1-
InChIKey UYSQZVHFILUQDN-UPHRSURJSA-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