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cis-2-[Bis(2,2,2-trifluoroethoxy)phosphoryl]-5-tert-butyl-1,3-dithiane
SpectraBase Compound ID 3Ca5qm1u1Q6
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-DTORHVGOSA-N
Mol Weight 420.37 g/mol
Molecular Formula C12H19F6O3PS2
Exact Mass 420.041743 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6xrSU3CwfBW
Name cis-2-[Bis(2,2,2-trifluoroethoxy)phosphoryl]-5-tert-butyl-1,3-dithiane
Alternate Name(s) bis(2,2,2-trifluoroethyl) 5-tert-butyl-1,3-dithian-2-ylphosphonate
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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-DTORHVGOSA-N
Molecular Weight 420.365 g/mol
SMILES [C@]1(P(OCC(F)(F)F)(OCC(F)(F)F)=O)(SC[C@@](CS1)(C(C)(C)C)[H])[H]
SPLASH splash10-004i-6900000000-8e58b4e44e6d56f467e8
Source of Spectrum J-59-1688-8
Wiley ID 1377729