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trans-2-[Bis(2,2,2-trifluoroethoxy)phosphoryl]-5-tert-butyl-1,3-dithiane
SpectraBase Compound ID ACaIcrw5g7h
InChI InChI=1S/C12H19F6O3PS2/c1-10(2,3)8-4-23-9(24-5-8)22(19,20-6-11(13,14)15)21-7-12(16,17)18/h8-9H,4-7H2,1-3H3/t8-,9-
InChIKey ACWXXLKBXLBSMU-KYZUINATSA-N
Mol Weight 420.37 g/mol
Molecular Formula C12H19F6O3PS2
Exact Mass 420.041743 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GI2n9XEAnTa
Name TRANS-2-[BIS-(2,2,2-TRIFLUOROETHOXY)-PHOSPHORYL]-5-TERT.-BUTYL-1,3-DITHIANE
Compound Number 8D
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Formula C12H19F6O3PS2
InChI InChI=1S/C12H19F6O3PS2/c1-10(2,3)8-4-23-9(24-5-8)22(19,20-6-11(13,14)15)21-7-12(16,17)18/h8-9H,4-7H2,1-3H3/t8-,9-
InChIKey ACWXXLKBXLBSMU-KYZUINATSA-N
Literature Reference Author M.MIKOLAJCZYK,P.P.GRACZYK,M.W.WIECZOREK
Literature Reference Citation J.ORG.CHEM.,59,1672(1994)
Literature Reference DOI 10.1021/jo00086a016
Molecular Weight 420.365 g/mol
Solvent CDCl3
Source File Reference UWCP4949