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3-(Phenylsulfinyl)-2-(trifluoromethanesulfonyloxy)cyclododecene
SpectraBase Compound ID 1So7H6m5etu
InChI InChI=1S/C19H25F3O4S2/c20-19(21,22)28(24,25)26-17-14-10-5-3-1-2-4-6-11-15-18(17)27(23)16-12-8-7-9-13-16/h7-9,12-14,18H,1-6,10-11,15H2/b17-14+
InChIKey GHFQUTGLJXXMCV-SAPNQHFASA-N
Mol Weight 438.52 g/mol
Molecular Formula C19H25F3O4S2
Exact Mass 438.114636 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3fj0kx3397A
Name 3-(Phenylsulfinyl)-2-(trifluoromethanesulfonyloxy)cyclododecene
Alternate Name(s) 12-(phenylsulfinyl)-1-cyclododecen-1-yl trifluoromethanesulfonate
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Formula C19H25F3O4S2
InChI InChI=1S/C19H25F3O4S2/c20-19(21,22)28(24,25)26-17-14-10-5-3-1-2-4-6-11-15-18(17)27(23)16-12-8-7-9-13-16/h7-9,12-14,18H,1-6,10-11,15H2/b17-14+
InChIKey GHFQUTGLJXXMCV-SAPNQHFASA-N
Molecular Weight 438.520 g/mol
SMILES C(S(O\C=1C(S(=O)c2ccccc2)CCCCCCCCCC/1)(=O)=O)(F)(F)F
SPLASH splash10-014i-0090000000-f623e7c27ad7fad9c13d
Source of Spectrum F-51-9335-16
Wiley ID 793277