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4'-(t-Butyl)cyclohex-1'-enyl nonaflate
SpectraBase Compound ID IkH9Nao4AI3
InChI InChI=1S/C14H17F9O3S/c1-10(2,3)8-4-6-9(7-5-8)26-27(24,25)11(12(15,16)17,13(18,19)20)14(21,22)23/h6,8H,4-5,7H2,1-3H3
InChIKey MLRADXQTFOXBKK-UHFFFAOYSA-N
Mol Weight 436.33 g/mol
Molecular Formula C14H17F9O3S
Exact Mass 436.075469 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CZONcnMG4fe
Name 4'-(t-Butyl)cyclohex-1'-enyl nonaflate
Alternate Name(s) rac-4-tert-Butylcyclohex-1-enyl nonaflate
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Formula C14H17F9O3S
InChI InChI=1S/C14H17F9O3S/c1-10(2,3)8-4-6-9(7-5-8)26-27(24,25)11(12(15,16)17,13(18,19)20)14(21,22)23/h6,8H,4-5,7H2,1-3H3
InChIKey MLRADXQTFOXBKK-UHFFFAOYSA-N
Molecular Weight 436.333 g/mol
SMILES C(S(OC1=CCC(C(C)(C)C)CC1)(=O)=O)(C(F)(F)F)(C(F)(F)F)C(F)(F)F
SPLASH splash10-0a4i-9000000000-2671d351684dc2157d04
Source of Spectrum K1-2002-1021-3
Wiley ID 1522188