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2-methylsulfanyl-4,4,5,5-tetrakis(trifluoromethyl)spiro[1,3-dioxa-2$l^{5}-phosphacyclopentane-2,8'-7,9-dioxa-8$l^{5}-phosphabicyclo[4.3.0]nona-1,3,5-triene]
SpectraBase Compound ID IOd0J1uSfZZ
InChI InChI=1S/C13H7F12O4PS/c1-31-30(26-6-4-2-3-5-7(6)27-30)28-8(10(14,15)16,11(17,18)19)9(29-30,12(20,21)22)13(23,24)25/h2-5H,1H3
InChIKey VLDXIWXYTZFRHE-UHFFFAOYSA-N
Mol Weight 518.21 g/mol
Molecular Formula C13H7F12O4PS
Exact Mass 517.961105 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ex2Ki5uz5Kq
Name 2-methylsulfanyl-4,4,5,5-tetrakis(trifluoromethyl)spiro[1,3-dioxa-2$l^{5}-phosphacyclopentane-2,8'-7,9-dioxa-8$l^{5}-phosphabicyclo[4.3.0]nona-1,3,5-triene]
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H7F12O4PS
InChI InChI=1S/C13H7F12O4PS/c1-31-30(26-6-4-2-3-5-7(6)27-30)28-8(10(14,15)16,11(17,18)19)9(29-30,12(20,21)22)13(23,24)25/h2-5H,1H3
InChIKey VLDXIWXYTZFRHE-UHFFFAOYSA-N
Literature Reference Author M.GARROSSIAN,W.G.BENTRUDE,G.V.ROESCHENTHALER
Literature Reference Citation J.ORG.CHEM.,66,6181(2001)
Literature Reference DOI 10.1021/jo001742d
Solvent Unknown
Source File Reference UWVN24520