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TRANS-4,6-BIS-(HYDROXY)-4,6-BIS-(TRIFLUOROMETHYL)-HEXAHYDRO-PYRIMIDIN-2-THIONE;MINOR-ISOMER
SpectraBase Compound ID HsVXMi0ZqX1
InChI InChI=1S/C6H6F6N2O2S/c7-5(8,9)3(15)1-4(16,6(10,11)12)14-2(17)13-3/h15-16H,1H2,(H2,13,14,17)/t3-,4+
InChIKey KTMKCFQWNNBDGJ-ZXZARUISSA-N
Mol Weight 284.18 g/mol
Molecular Formula C6H6F6N2O2S
Exact Mass 284.005418 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KuWjUxZsF6Z
Name TRANS-4,6-BIS-(HYDROXY)-4,6-BIS-(TRIFLUOROMETHYL)-HEXAHYDRO-PYRIMIDIN-2-THIONE;MINOR-ISOMER
Compound Number IIIB
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C6H6F6N2O2S
InChI InChI=1S/C6H6F6N2O2S/c7-5(8,9)3(15)1-4(16,6(10,11)12)14-2(17)13-3/h15-16H,1H2,(H2,13,14,17)/t3-,4+
InChIKey KTMKCFQWNNBDGJ-ZXZARUISSA-N
Literature Reference Author Y.V.BURGART,O.G.KUZUEVA,M.V.PRYADEINA,C.O.KAPPE,V.I.SALOUTIN
Literature Reference Citation RUSS.J.ORG.CHEM.,37,869(2001)
Literature Reference DOI 10.1023/A:1012473901354
Solvent C6F6
Source File Reference UWVN5510