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METHYL-4-HEPTAFLUOROPROPYL-4-HYDROXY-2-THIOXO-6-PHENYLHEXAHYDRO-PYRIMIDINE-5-CARBOXYLATE
SpectraBase Compound ID 8VqXlkEEiBJ
InChI InChI=1S/C15H13F7N2O3S/c1-27-10(25)8-9(7-5-3-2-4-6-7)23-11(28)24-12(8,26)13(16,17)14(18,19)15(20,21)22/h2-6,8-9,26H,1H3,(H2,23,24,28)/t8-,9+,12-/m1/s1
InChIKey RHZBKCJWZVZVEJ-VDDIYKPWSA-N
Mol Weight 434.33 g/mol
Molecular Formula C15H13F7N2O3S
Exact Mass 434.053511 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Foizm8A8Xxr
Name METHYL-4-HEPTAFLUOROPROPYL-4-HYDROXY-2-THIOXO-6-PHENYLHEXAHYDRO-PYRIMIDINE-5-CARBOXYLATE
Compound Number VF
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H13F7N2O3S
InChI InChI=1S/C15H13F7N2O3S/c1-27-10(25)8-9(7-5-3-2-4-6-7)23-11(28)24-12(8,26)13(16,17)14(18,19)15(20,21)22/h2-6,8-9,26H,1H3,(H2,23,24,28)/t8-,9+,12-/m1/s1
InChIKey RHZBKCJWZVZVEJ-VDDIYKPWSA-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 UWVN5519