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1-(3,5-bis(trifluoromethyl)phenylsulfonimidoyl)bicyclo[1.1.1]pentane
SpectraBase Compound ID 5atIy7FmCOC
InChI InChI=1S/C13H11F6NOS/c14-12(15,16)8-1-9(13(17,18)19)3-10(2-8)22(20,21)11-4-7(5-11)6-11/h1-3,7,20H,4-6H2
InChIKey DMHUHEHJOBWIMO-UHFFFAOYSA-N
Mol Weight 343.29 g/mol
Molecular Formula C13H11F6NOS
Exact Mass 343.046554 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CdHpQ7X3SDd
Name 1-(3,5-bis(trifluoromethyl)phenylsulfonimidoyl)bicyclo[1.1.1]pentane
Appearance Blue oil
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Formula C13H11F6NOS
InChI InChI=1S/C13H11F6NOS/c14-12(15,16)8-1-9(13(17,18)19)3-10(2-8)22(20,21)11-4-7(5-11)6-11/h1-3,7,20H,4-6H2
InChIKey DMHUHEHJOBWIMO-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1002/adsc.201901453
Molecular Weight 343.287 g/mol
Reported Formula C13H11F6NO(32)S
SMILES N=S(c1cc(C(F)(F)F)cc(c1)C(F)(F)F)(=O)C12CC(C2)C1
SPLASH splash10-014i-9010000000-8786ce90e6b11a84966a
Source of Spectrum ASC-362-SM14-9h
Thin-Layer Chromatography Rf = 0.18 (cHex/EtOAc, 5:1)
Wiley ID 1839425