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N-{(2R)-2-Iodo-3-perfluorohexylpropanoyl}-(1S,2R,4R)-bornane-10,2-sultam
SpectraBase Compound ID FhLTldFCcqY
InChI InChI=1S/C16H19F7INO3S/c1-12(2)8-3-4-13(12)7-29(27,28)25(10(13)5-8)11(26)9(24)6-14(17,18)15(19,20)16(21,22)23/h8-10H,3-7H2,1-2H3/t8-,9-,10+,13-/m1/s1
InChIKey XKYMREIBLMJSRA-ORXSELOVSA-N
Mol Weight 565.29 g/mol
Molecular Formula C16H19F7INO3S
Exact Mass 565.001857 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3YUToNPfLyZ
Name N-{(2R)-2-Iodo-3-perfluorohexylpropanoyl}-(1S,2R,4R)-bornane-10,2-sultam
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Formula C16H19F7INO3S
InChI InChI=1S/C16H19F7INO3S/c1-12(2)8-3-4-13(12)7-29(27,28)25(10(13)5-8)11(26)9(24)6-14(17,18)15(19,20)16(21,22)23/h8-10H,3-7H2,1-2H3/t8-,9-,10+,13-/m1/s1
InChIKey XKYMREIBLMJSRA-ORXSELOVSA-N
Molecular Weight 565.285 g/mol
SMILES CC1([C@]2(C[C@]3([C@]1(CS(=O)(=O)N3C([C@@](CC(F)(F)C(F)(F)C(F)(F)F)(I)[H])=O)CC2)[H])[H])C
SPLASH splash10-00e9-0709100000-a5a03551e6c40186a1fd
Source of Spectrum A1-9-2513/SMS5-14_majorisomer
Synonyms (R)-1-((3aS,6R,7aR)-8,8-dimethyl-2,2-dioxidohexahydro-1H-3a,6-methanobenzo[c]isothiazol-1-yl)-4,4,5,5,6,6,6-heptafluoro-2-iodohexan-1-one
Wiley ID 1758177